Geometry & MOs

Info

ID:	244357
PubChem CID:	99344238
Reduced:	BrN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylsulfamoyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)[C@@H](C)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations