Geometry & MOs

Info

ID:	390731
PubChem CID:	135000609
Reduced:	ClNS2O4H18C23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	290.167065
ΔH_f, kcal/mol:	-56.94
Dipole, Da:	9.66
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-1,2-diphenylethenyl]cycloheptan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=C(SC(=N2)OC3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations