Geometry & MOs

Info

ID:	329359
PubChem CID:	126735347
Reduced:	NC21H45 (1)
Stoich.:	AB21C45 (1)
Weight, g/mol:	467.143882
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	1.12
IP(EA), eV:	-8.27(2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-[(4aR,8aR)-2-aminospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]oxazine-6,1'-cyclobutane]-8a-yl]-1,3-thiazol-4-yl]amino]-[5-(difluoromethoxy)pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCC(CC)CN(CC(CC)CCCC)CC(C)(C)C

DOS

IR

Vibrations