Geometry & MOs

Info

ID:	359174
PubChem CID:	127297591
Reduced:	N2S2O4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	4.06
IP(EA), eV:	-9.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexylsulfonyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations