Geometry & MOs

Info

ID:	426459
PubChem CID:	135144296
Reduced:	NaO3N6H13C20 (1)
Stoich.:	AB3C6D13E20 (1)
Weight, g/mol:	404.094312
ΔH_f, kcal/mol:	26.21
Dipole, Da:	47.58
IP(EA), eV:	-8.04(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-2-[(E)-3-cyano-2-(dimethylamino)prop-2-enoyl]indole-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C(=O)C3=C(N(N=C3)C4=CC5=C(C=C4)N=C(N5)C(=O)[O-])N.[Na+]

DOS

IR

Vibrations