Geometry & MOs

Info

ID:	36662
PubChem CID:	8010490
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	6.21
IP(EA), eV:	-9.36(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations