Geometry & MOs

Info

ID:	143859
PubChem CID:	53271031
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	6.15
IP(EA), eV:	-9.58(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C4=C(C=NC=C4)C(=O)O

DOS

IR

Vibrations