Geometry & MOs

Info

ID:	33669
PubChem CID:	7887396
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	2.2
Dipole, Da:	5.69
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@H](C)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C

DOS

IR

Vibrations