Geometry & MOs

Info

ID:	139686
PubChem CID:	52580429
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	414.197714
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	6.03
IP(EA), eV:	-9.07(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl)-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)N1CCC(CC1)C2=CC=CC=C2

DOS

IR

Vibrations