Geometry & MOs

Info

ID:	135699
PubChem CID:	51919801
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	10.07
IP(EA), eV:	-8.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations