Geometry & MOs

Info

ID:	177585
PubChem CID:	76201562
Reduced:	SCl2N2O2H16C21 (1)
Stoich.:	AB2C2D2E16F21 (1)
Weight, g/mol:	438.116877
ΔH_f, kcal/mol:	9.71
Dipole, Da:	7.04
IP(EA), eV:	-8.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NC(=S)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations