Geometry & MOs

Info

ID:	237262
PubChem CID:	92718052
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	470.106706
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations