Geometry & MOs

Info

ID:	132311
PubChem CID:	51341357
Reduced:	NH12C13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	99.65
Dipole, Da:	1.5
IP(EA), eV:	-8.02(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-4-amino-3-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=CC=CC=C4N

DOS

IR

Vibrations