Geometry & MOs

Info

ID:	393659
PubChem CID:	135021446
Reduced:	C2H3 (12)
Stoich.:	A2B3 (12)
Weight, g/mol:	431.1919
ΔH_f, kcal/mol:	117.89
Dipole, Da:	0.13
IP(EA), eV:	-9.14(2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,4R)-4-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]cyclohex-2-en-1-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CC2C1C3C2CC4C(CC5C(C3)C6C5C(C6)C)C7C4C(C7)C

DOS

IR

Vibrations