Geometry & MOs

Info

ID:	369866
PubChem CID:	127336472
Reduced:	SN3O4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	338.09681
ΔH_f, kcal/mol:	-180.19
Dipole, Da:	7.73
IP(EA), eV:	-8.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorothiophen-2-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)CCN2C(=O)C3(CCCC3)NC2=O)C

DOS

IR

Vibrations