Geometry & MOs

Info

ID:	86257
PubChem CID:	49883567
Reduced:	S2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	501.114061
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	4.62
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C(C)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations