Geometry & MOs

Info

ID:	131455
PubChem CID:	51208753
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	3.59
IP(EA), eV:	-8.71(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations