Geometry & MOs

Info

ID:	304350
PubChem CID:	124557345
Reduced:	SN3O3C33H33 (1)
Stoich.:	AB3C3D33E33 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	6.34
IP(EA), eV:	-8.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloroanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=CC=C(C=C3)C(C)C)C(=O)/C(=C/C4=CC=C(C=C4)N(C)C)/S2)C5=CC=CC=C5

DOS

IR

Vibrations