Geometry & MOs

Info

ID:	441075
PubChem CID:	135233012
Reduced:	OSN7C24H27 (1)
Stoich.:	ABC7D24E27 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	97.21
Dipole, Da:	6.0
IP(EA), eV:	-8.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-iminopyridine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1COCCN1C2=CN=C3C=CC(=CC3=C2)SC(=N)N4C=C(C=CC4=N)/C(=C/N)/C=NC

DOS

IR

Vibrations