Geometry & MOs

Info

ID:	177579
PubChem CID:	76201556
Reduced:	ClSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	429.09139
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	9.28
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)N3CCOCC3)Cl

DOS

IR

Vibrations