Geometry & MOs

Info

ID:	177584
PubChem CID:	76201561
Reduced:	ClOSN4H19C24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	430.030954
ΔH_f, kcal/mol:	62.98
Dipole, Da:	6.71
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)N=C(N2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations