Geometry & MOs

Info

ID:	425723
PubChem CID:	135127610
Reduced:	NSO7C22H33 (1)
Stoich.:	ABC7D22E33 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	-261.51
Dipole, Da:	3.85
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(E)-2-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenyl]benzoate

Drug info:

PubChemData

Smile

CC(COC(=O)C=C)(COC(=O)C=C)NC(=O)OC(COCCC=C)CSCCC=C

DOS

IR

Vibrations