Geometry & MOs

Info

ID:	391725
PubChem CID:	135008955
Reduced:	NOC15H20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	503.21303
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	2.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146989
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-[(1R)-2-[methyl-(4-methylphenyl)sulfonylamino]-2-phenylcyclopropyl]-2-phenylethenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[N+]1=C(C(=C(C)OCC)C2=CC=CC=C21)C

DOS

IR

Vibrations