Geometry & MOs

Info

ID:	181755
PubChem CID:	76789616
Reduced:	N2O7C35H40 (1)
Stoich.:	A2B7C35D40 (1)
Weight, g/mol:	435.127107
ΔH_f, kcal/mol:	-222.2
Dipole, Da:	8.6
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[3-chloro-4-(3-hydroxypropylsulfonyl)phenyl]-2-cyclopentylethyl]-3-methylidenepyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1C=C)CC(=O)C2CC(CN2C(=O)OC(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations