Geometry & MOs

Info

ID:	191987
PubChem CID:	78209863
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	387.01201
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	8.73
IP(EA), eV:	-8.75(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(E)-1-iodo-2-phenylethenyl]indol-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1CCC2C(C1)OC=C(C2=O)C=C3C(=O)NC(=S)N3

DOS

IR

Vibrations