Geometry & MOs

Info

ID:	402403
PubChem CID:	135055855
Reduced:	NSO3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.3
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R)-4-cyclohexa-2,5-dien-1-yl-4-(4-methoxyphenyl)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@H](COCC3=CC=CC=C3)C=C

DOS

IR

Vibrations