Geometry & MOs

Info

ID:	41535
PubChem CID:	8146172
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	5.04
IP(EA), eV:	-8.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations