Geometry & MOs

Info

ID:	226735
PubChem CID:	87557926
Reduced:	NO2C9H20 (2)
Stoich.:	AB2C9D20 (2)
Weight, g/mol:	745.239535
ΔH_f, kcal/mol:	-217.22
Dipole, Da:	7.42
IP(EA), eV:	-9.24(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(2-aminopropanoyl) 4-O-[(2R)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S,3S)-2,3-dihydroxybutanedioate

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

CC(CCO)C(C(C)CCO)(C(C(C)CCO)(C(C)CCO)N)N

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

CC(CCO)C(C(C)CCO)(C(C(C)CCO)(C(C)CCO)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):