Geometry & MOs

Info

ID:	30958
PubChem CID:	853926
Reduced:	SO2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	336.172545
ΔH_f, kcal/mol:	48.73
Dipole, Da:	1.99
IP(EA), eV:	-8.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN=C2N(N=NS2)C3=CC=CC=C3

DOS

IR

Vibrations