Geometry & MOs

Info

ID:	32762
PubChem CID:	7848109
Reduced:	N2S2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	3.43
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)NC1=O

DOS

IR

Vibrations