Geometry & MOs

Info

ID:	44666
PubChem CID:	10505185
Reduced:	NSO2F3C27H30 (1)
Stoich.:	ABC2D3E27F30 (1)
Weight, g/mol:	489.251523
ΔH_f, kcal/mol:	-192.59
Dipole, Da:	5.91
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C([C@@H]1[C@H](CC3=CC(=C(C=C23)OC)OC)C#N)(C)C)SC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations