Geometry & MOs

Info

ID:	188330
PubChem CID:	77700621
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	636.268079
ΔH_f, kcal/mol:	-117.69
Dipole, Da:	2.83
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(1,1-difluoroethyl)-6,7-bis[(4-methoxyphenyl)methoxy]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CC(C)C1C(C(C2C(O1)SC(=N2)N(C)C)O)O

DOS

IR

Vibrations