Geometry & MOs

Info

ID:	34218
PubChem CID:	7890345
Reduced:	ClN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	9.05
IP(EA), eV:	-9.5(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations