Geometry & MOs

Info

ID:	140223
PubChem CID:	52665516
Reduced:	ClO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	457.200644
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	9.01
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-cyclopropyl-5-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H](CNC(=O)NC2=CC(=C(C=C2)Cl)C(=O)NC3CC3)N4CCCC4

DOS

IR

Vibrations