Geometry & MOs

Info

ID:	86247
PubChem CID:	49883443
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	2.75
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations