Geometry & MOs

Info

ID:	345007
PubChem CID:	127268767
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	367.18173
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	9.09
IP(EA), eV:	-9.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethylsulfonyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)NCC2=CC=CC=C2N3C=CN=C3

DOS

IR

Vibrations