Geometry & MOs

Info

ID:	147386
PubChem CID:	53787042
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	318.09642
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	2.99
IP(EA), eV:	-9.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CC2=CC=CC=C21)O)N

DOS

IR

Vibrations