Geometry & MOs

Info

ID:	32479
PubChem CID:	7838002
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-160.85
Dipole, Da:	6.61
IP(EA), eV:	-8.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)COC(=O)C2=CC=C(S2)C

DOS

IR

Vibrations