Geometry & MOs

Info

ID:	33215
PubChem CID:	7885426
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	8.21
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations