Geometry & MOs

Info

ID:	142247
PubChem CID:	53006043
Reduced:	ClSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	2.05
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-chlorophenyl)methyl]-N-cyclopentyl-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C(=CC3=C2SC=C3)C(=O)N1C4=CC=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations