Geometry & MOs

Info

ID:	38826
PubChem CID:	8137994
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-186.83
Dipole, Da:	10.0
IP(EA), eV:	-9.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(C)CC(=O)NC2CC2

DOS

IR

Vibrations