Geometry & MOs

Info

ID:	62838
PubChem CID:	26737181
Reduced:	S2N4O5C22H26 (1)
Stoich.:	A2B4C5D22E26 (1)
Weight, g/mol:	485.162057
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	6.24
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-(methylcarbamothioyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCNC(=S)N(CCC1=CC=C(C=C1)S(=O)(=O)N)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations