Geometry & MOs

Info

ID:	16950
PubChem CID:	480929
Reduced:	N3O6C13H21 (1)
Stoich.:	A3B6C13D21 (1)
Weight, g/mol:	315.143035
ΔH_f, kcal/mol:	-257.64
Dipole, Da:	4.44
IP(EA), eV:	-10.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[(4-methoxy-4-oxobut-2-enoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CNC(=O)C=CC(=O)OC)C(=O)O)N

DOS

IR

Vibrations