Geometry & MOs

Info

ID:	36290
PubChem CID:	8001102
Reduced:	SN2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	364.058317
ΔH_f, kcal/mol:	70.63
Dipole, Da:	2.53
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2CC2

DOS

IR

Vibrations