Geometry & MOs

Info

ID:	37671
PubChem CID:	8023013
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	228.046967
ΔH_f, kcal/mol:	40.45
Dipole, Da:	5.38
IP(EA), eV:	-8.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2,4-diimino-5-(pyridin-4-ylmethylidene)thiolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)/C(=C\NC3=CC=CC=N3)/C(=N2)C)C

DOS

IR

Vibrations