Geometry & MOs

Info

ID:	26549
PubChem CID:	652432
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	9.19
IP(EA), eV:	-9.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NCC3CC3

DOS

IR

Vibrations