Geometry & MOs

Info

ID:	142673
PubChem CID:	53074300
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	6.81
IP(EA), eV:	-8.78(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-chlorophenyl)methyl]-8-(3-methylbutyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)C5=C(S4)CC(CC5)C

DOS

IR

Vibrations