Geometry & MOs

Info

ID:	194979
PubChem CID:	78616426
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	318.078662
ΔH_f, kcal/mol:	-172.95
Dipole, Da:	3.74
IP(EA), eV:	-9.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)OC(C)C(=O)NC2CCCC3=CC=CC=C23

DOS

IR

Vibrations