Geometry & MOs

Info

ID:	144549
PubChem CID:	53384464
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	121.48
Dipole, Da:	7.35
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C/C(=N\NC1=CC(=CC=C1)[N+](=O)[O-])/N=NC2=CC=CC=C2

DOS

IR

Vibrations