Geometry & MOs

Info

ID:	242915
PubChem CID:	99214147
Reduced:	N2O5C26H30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	383.10704
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	5.52
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)NCC3=CC=CC=C3OCC(=O)NC[C@H]4CCCO4)C

DOS

IR

Vibrations