Geometry & MOs

Info

ID:	189893
PubChem CID:	77920651
Reduced:	ClO3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	452.128504
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-4-pyrazolidin-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)-2-methoxycyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2C(=CN3C=C(NC3C2=O)C(=O)NCCC(=O)N)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations