Geometry & MOs

Info

ID:	62936
PubChem CID:	26737693
Reduced:	FSN3O3H26C27 (1)
Stoich.:	ABC3D3E26F27 (1)
Weight, g/mol:	485.125671
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	3.85
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3S)-3-[(2-methoxy-2-oxoethyl)-[(4-methoxyphenyl)carbamothioyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=NCCC2=CC=CC=C2)S[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations