Geometry & MOs

Info

ID:	65100
PubChem CID:	29204470
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	6.7
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

DOS

IR

Vibrations