Geometry & MOs

Info

ID:	86417
PubChem CID:	49885373
Reduced:	SN4O5C27H30 (1)
Stoich.:	AB4C5D27E30 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	6.73
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations