Geometry & MOs

Info

ID:	158317
PubChem CID:	56463347
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	434.154325
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	3.62
IP(EA), eV:	-10.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations