Geometry & MOs

Info

ID:	142817
PubChem CID:	53096123
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	4.53
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonylazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations