Geometry & MOs

Info

ID:	422821
PubChem CID:	135118472
Reduced:	ClFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	642.319954
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	5.98
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-13-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

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(=C(C=C1)Cl)CN2C[C@@H]3COC[C@H](C2)NC3=O)F

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(=C(C=C1)Cl)CN2C[C@@H]3COC[C@H](C2)NC3=O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):