Geometry & MOs

Info

ID:	214377
PubChem CID:	84981772
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	353.159555
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	10.28
IP(EA), eV:	-8.47(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

DOS

IR

Vibrations