Geometry & MOs

Info

ID:	61801
PubChem CID:	26713263
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	3.61
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations