Geometry & MOs

Info

ID:	193446
PubChem CID:	78396014
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	476.128504
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	3.28
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=C4C=CC=CC4=O)NN3)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations