Geometry & MOs

Info

ID:	448504
PubChem CID:	135291407
Reduced:	ClSN4O4H17C19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	462.058711
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	3.61
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CSC3=C2CN(C3=O)C4CCC(=O)NC4=O)Cl

DOS

IR

Vibrations