Geometry & MOs

Info

ID:	36289
PubChem CID:	8001085
Reduced:	ClS2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	280.081639
ΔH_f, kcal/mol:	70.4
Dipole, Da:	2.61
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations