Geometry & MOs

Info

ID:	318562
PubChem CID:	126651900
Reduced:	N3F4H15C19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	5.56
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(1-aminoethylideneamino)-2-[(2-benzhydryl-1,5-dimethylimidazole-4-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=C(N4N=C3)C(F)(F)F)C

DOS

IR

Vibrations