Geometry & MOs

Info

ID:	195075
PubChem CID:	78630572
Reduced:	F3N3H14C15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	4.34
IP(EA), eV:	-8.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-3-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylideneamino]thiourea

Drug info:

PubChemData

Smile

CC(=NNC1=CC=CC=C1C(F)(F)F)C2=CC=C(C=C2)N

DOS

IR

Vibrations