Geometry & MOs

Info

ID:	71074
PubChem CID:	48414253
Reduced:	BrO2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	8.99
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations