Geometry & MOs

Info

ID:	426461
PubChem CID:	135144298
Reduced:	O3N6H18C22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	397.089641
ΔH_f, kcal/mol:	14.94
Dipole, Da:	2.78
IP(EA), eV:	-8.74(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[1-(benzenesulfonyl)-6-fluoroindole-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N)N=C1C(=O)O

DOS

IR

Vibrations