Geometry & MOs

Info

ID:	33883
PubChem CID:	7888572
Reduced:	OS2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	87.28
Dipole, Da:	3.74
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-diethoxyphenyl)carbamoyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C2=NC(=CS2)CSC3=NN=C4N3C=CC=C4)C(=O)C

DOS

IR

Vibrations