Geometry & MOs

Info

ID:	37568
PubChem CID:	8022274
Reduced:	ClO5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	418.075406
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	4.02
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations