Geometry & MOs

Info

ID:	165722
PubChem CID:	74586810
Reduced:	SN2O3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	425.18005
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	7.34
IP(EA), eV:	-9.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-methyl-2-[[4-(2,3,4-trifluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-5-carbonyl]amino]pentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC(C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations