Geometry & MOs

Info

ID:	121824
PubChem CID:	50782733
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	2.5
IP(EA), eV:	-8.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylbenzoyl)amino]-5-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=CC(=C(C=C2)NC(=O)CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations