Geometry & MOs

Info

ID:	135125
PubChem CID:	51818222
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	486.324629
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	6.78
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-[tert-butyl-[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-cyclohexylhept-3-enamide

Drug info:

PubChemData

Smile

CCCN([C@H]([C@@H](C)C1=CC=CC=C1)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CC

DOS

IR

Vibrations