Geometry & MOs

Info

ID:	391037
PubChem CID:	135002386
Reduced:	N2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	353.098669
ΔH_f, kcal/mol:	66.65
Dipole, Da:	1.74
IP(EA), eV:	-9.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(1R)-2-cyano-1-phenylprop-2-enyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(C2=CC=CC=C2)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations