Geometry & MOs

Info

ID:	60653
PubChem CID:	26697349
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	492.105865
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	3.7
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[(2S)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3CCCC3)C

DOS

IR

Vibrations