Geometry & MOs

Info

ID:	83487
PubChem CID:	49857650
Reduced:	ClNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	449.202465
ΔH_f, kcal/mol:	-16.31
Dipole, Da:	4.15
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-hydroxy-2-methyl-4-(4-phenylphenyl)hept-6-en-3-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(=O)[C@@H](C1)[C@H](C2=CC=C(C=C2)Cl)NC3=CC=CC=C3

DOS

IR

Vibrations