Geometry & MOs

Info

ID:	36291
PubChem CID:	8001113
Reduced:	ClS2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	330.097289
ΔH_f, kcal/mol:	69.35
Dipole, Da:	3.2
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations