Geometry & MOs

Info

ID:	328783
PubChem CID:	126727754
Reduced:	O4N5C34H35 (1)
Stoich.:	A4B5C34D35 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	4.47
Dipole, Da:	1.58
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethenyl-3-[1-[(Z)-ethylideneamino]-2-methylprop-1-enyl]sulfanylaniline

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(C(=C1)CCC(=O)C(=N)CC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C5=CC=CC=N5

DOS

IR

Vibrations