Geometry & MOs

Info

ID:	142246
PubChem CID:	53006042
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	427.112126
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	2.4
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-chlorophenyl)-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)OC)C(=O)NC5CCCC5

DOS

IR

Vibrations