Geometry & MOs

Info

ID:	243002
PubChem CID:	99214978
Reduced:	SF2N2O4C22H26 (1)
Stoich.:	AB2C2D4E22F26 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-222.01
Dipole, Da:	5.91
IP(EA), eV:	-8.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations