Geometry & MOs

Info

ID:	188467
PubChem CID:	77721825
Reduced:	FN2O4C22H33 (1)
Stoich.:	AB2C4D22E33 (1)
Weight, g/mol:	863.458162
ΔH_f, kcal/mol:	-243.03
Dipole, Da:	4.01
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[cyclohexyl-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(pyrazolo[1,5-a]pyridine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1)F)OC2CCN(CC2)C(=O)C(C(C)C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1)F)OC2CCN(CC2)C(=O)C(C(C)C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):