Geometry & MOs

Info

ID:	33641
PubChem CID:	7887310
Reduced:	OSN2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	5.67
IP(EA), eV:	-9.19(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@H](C)C(=O)NC(=O)NC3CCCCC3)C

DOS

IR

Vibrations