Geometry & MOs

Info

ID:	348367
PubChem CID:	127273432
Reduced:	ClOS2N5C16H16 (1)
Stoich.:	ABC2D5E16F16 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	44.88
Dipole, Da:	2.23
IP(EA), eV:	-9.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(oxan-2-ylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(S2)Cl)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations