Geometry & MOs

Info

ID:	11845
PubChem CID:	121905
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-194.02
Dipole, Da:	4.82
IP(EA), eV:	-9.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations