Geometry & MOs

Info

ID:	416879
PubChem CID:	135090633
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-200.15
Dipole, Da:	2.53
IP(EA), eV:	-9.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations