Geometry & MOs

Info

ID:	33648
PubChem CID:	7887334
Reduced:	OS2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	307.051444
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	1.56
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethoxycarbonylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4)C

DOS

IR

Vibrations