Geometry & MOs

Info

ID:	38828
PubChem CID:	8137997
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	2.55
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations