Geometry & MOs

Info

ID:	140221
PubChem CID:	52664594
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	457.200644
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	4.9
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC=CC=C2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

DOS

IR

Vibrations