Geometry & MOs

Info

ID:	302449
PubChem CID:	124361774
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	1.27
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)N/N=C\C1=CC2=CC=CC=C2OC1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations