Geometry & MOs

Info

ID:	79726
PubChem CID:	49830165
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	411.074505
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	11.53
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 6-methyl-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2CC2)C3=CC=CS3

DOS

IR

Vibrations