Geometry & MOs

Info

ID:	139719
PubChem CID:	52584600
Reduced:	ClSN2O2C26H27 (1)
Stoich.:	ABC2D2E26F27 (1)
Weight, g/mol:	412.218449
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	2.09
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1NC(=O)CS[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C

DOS

IR

Vibrations