Geometry & MOs

Info

ID:

329502

PubChem CID:

126737633

Reduced:

OC6H10 (2)

Stoich.:

AB6C10 (2)

Weight, g/mol:

501.109388

ΔHf, kcal/mol:

-104.89

Dipole, Da:

1.78

IP(EA), eV:

-9.49(0.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[(4aR,8aR)-2-amino-1',1'-difluorospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]oxazine-6,2'-cyclopropane]-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC=C2COC(C[C@H]2CO1)(C)C

DOS

IR

Vibrations