Geometry & MOs

Info

ID:	151062
PubChem CID:	53790759
Reduced:	NOC32H65 (1)
Stoich.:	ABC32D65 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	3.5
IP(EA), eV:	-9.72(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(triazol-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(=O)C

DOS

IR

Vibrations