Geometry & MOs

Info

ID:	38599
PubChem CID:	8137184
Reduced:	N3O6C16H17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-217.83
Dipole, Da:	4.71
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] (2R)-2-phenoxypropanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OCC(=O)C1=C(N(C(=O)NC1=O)C)N)OC2=CC=CC=C2

DOS

IR

Vibrations