Geometry & MOs

Info

ID:	344907
PubChem CID:	127268667
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	6.62
IP(EA), eV:	-8.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethylsulfonyl)-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)NCC2=CC(=CC=C2)CN3CCOCC3

DOS

IR

Vibrations