Geometry & MOs

Info

ID:	289866
PubChem CID:	104380247
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	304.084141
ΔH_f, kcal/mol:	23.87
Dipole, Da:	2.72
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(hydroxymethyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1C(=NNC1=S)C2=CN=CC=C2

DOS

IR

Vibrations