Geometry & MOs

Info

ID:	38667
PubChem CID:	8137374
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	3.74
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)NC(=O)C4CC4)C

DOS

IR

Vibrations