Geometry & MOs

Info

ID:	36664
PubChem CID:	8010504
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	7.71
IP(EA), eV:	-9.35(-0.75)
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-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC=CS3

DOS

IR

Vibrations