Geometry & MOs

Info

ID:	44033
PubChem CID:	10500550
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	389.14495
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	5.31
IP(EA), eV:	-7.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C4=C1C(=CC=C4)OC)C5(C6CC7CC(C6)CC5C7)OO3

DOS

IR

Vibrations