Geometry & MOs

Info

ID:	401458
PubChem CID:	135051335
Reduced:	S4H6C7 (1)
Stoich.:	A4B6C7 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	89.14
Dipole, Da:	2.83
IP(EA), eV:	-8.67(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-5-(dimethylamino)-4-methoxy-2-(1H-pyrrol-2-yl)penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C\1=C(SS/C1=C\C=S)CC=S

DOS

IR

Vibrations