Geometry & MOs

Info

ID:	80518
PubChem CID:	49834900
Reduced:	O2N7C24H25 (1)
Stoich.:	A2B7C24D25 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	29.58
Dipole, Da:	2.92
IP(EA), eV:	-8.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(4-hydroxypiperidine-1-carbonyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=C(N=C5)CO)NC

DOS

IR

Vibrations