Geometry & MOs

Info

ID:	58113
PubChem CID:	24424174
Reduced:	ClFSN2O2C15H18 (1)
Stoich.:	ABCD2E2F15G18 (1)
Weight, g/mol:	434.159889
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	6.49
IP(EA), eV:	-8.63(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[[3-[[(3-methylphenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations