Geometry & MOs

Info

ID:	27825
PubChem CID:	823745
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	290.00474
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	3.9
IP(EA), eV:	-8.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)carbamothioyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=S)NC1=CC=CC=C1OC

DOS

IR

Vibrations