Geometry & MOs

Info

ID:	137598
PubChem CID:	52231611
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	366.115047
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	2.81
IP(EA), eV:	-8.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]indol-3-ylidene]amino]thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCCN2C3=C(C=C(C=C3Cl)Cl)/C(=N\O)/C2=O

DOS

IR

Vibrations