Geometry & MOs

Info

ID:	224034
PubChem CID:	85337164
Reduced:	N4O6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	476.981694
ΔH_f, kcal/mol:	-145.72
Dipole, Da:	7.86
IP(EA), eV:	-8.84(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-3-[(3,5-dichlorophenyl)carbamothioylamino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2CCC(CC2C(=O)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations