Geometry & MOs

Info

ID:	70841
PubChem CID:	48413938
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	1.65
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations