Geometry & MOs

Info

ID:	194210
PubChem CID:	78497573
Reduced:	N2O3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	379.174336
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754119
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

DOS

IR

Vibrations