Geometry & MOs

Info

ID:	138376
PubChem CID:	52357484
Reduced:	NO2C5H14 (1)
Stoich.:	AB2C5D14 (1)
Weight, g/mol:	413.07555
ΔH_f, kcal/mol:	-75.47
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753944
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3-phenylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@](C[NH3+])(COC)O

DOS

IR

Vibrations