Geometry & MOs

Info

ID:	86296
PubChem CID:	49883940
Reduced:	S3O4N5H21C25 (1)
Stoich.:	A3B4C5D21E25 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	9.98
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations