Geometry & MOs

Info

ID:	32763
PubChem CID:	7848115
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	3.58
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CCC(C)C

DOS

IR

Vibrations