Geometry & MOs

Info

ID:	406757
PubChem CID:	135078529
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	453.17625
ΔH_f, kcal/mol:	100.86
Dipole, Da:	3.62
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-diphenylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations