Geometry & MOs

Info

ID:	406304
PubChem CID:	135077154
Reduced:	BrNSO2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	386.191566
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	4.66
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)Br)C)CSC3=CC=CC=C3

DOS

IR

Vibrations