Geometry & MOs

Info

ID:	214366
PubChem CID:	84981622
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	3.14
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[(4-nitrobenzoyl)amino]thiourea

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)NNC(=O)C3CCCCC3

DOS

IR

Vibrations