Geometry & MOs

Info

ID:	348280
PubChem CID:	127273345
Reduced:	SO2N6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	4.78
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4CCC5=NC(=NN5C4)C

DOS

IR

Vibrations