Geometry & MOs

Info

ID:	27827
PubChem CID:	823753
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	275.989089
ΔH_f, kcal/mol:	3.19
Dipole, Da:	4.33
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations