Geometry & MOs

Info

ID:	142245
PubChem CID:	53006041
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	4.48
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-10-(4-methoxyphenyl)-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)OC)C(=O)NC5CCCC5

DOS

IR

Vibrations