Geometry & MOs

Info

ID:	44491
PubChem CID:	10503768
Reduced:	NOF3C28H28 (1)
Stoich.:	ABC3D28E28 (1)
Weight, g/mol:	451.184871
ΔH_f, kcal/mol:	-133.42
Dipole, Da:	5.11
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]-5-trimethylsilylpent-4-ynoic acid

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations