Geometry & MOs

Info

ID:	392856
PubChem CID:	135018194
Reduced:	NSO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	4.39
IP(EA), eV:	-8.5(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4,5-diphenyl-2,3,6,7-tetrahydroazepine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCN(CC[C@@H]2C3=CC=C(C=C3)OC)S(=O)(=O)C

DOS

IR

Vibrations