Geometry & MOs

Info

ID:	36295
PubChem CID:	8001230
Reduced:	NSO5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

DOS

IR

Vibrations