Geometry & MOs

Info

ID:	136017
PubChem CID:	51966829
Reduced:	F2N2O5C20H20 (1)
Stoich.:	A2B2C5D20E20 (1)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	-265.82
Dipole, Da:	2.3
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CC(=CC=C1)OC)C(=O)NC2=C(C=C(C(=C2)C(=O)OC)F)F

DOS

IR

Vibrations