Geometry & MOs

Info

ID:	27828
PubChem CID:	823769
Reduced:	OSCl2N2C10H10 (1)
Stoich.:	ABC2D2E10F10 (1)
Weight, g/mol:	242.028062
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	5.81
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)carbamothioyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations