Geometry & MOs

Info

ID:	188336
PubChem CID:	77700627
Reduced:	SN2O4C10H20 (1)
Stoich.:	AB2C4D10E20 (1)
Weight, g/mol:	674.323702
ΔH_f, kcal/mol:	-178.27
Dipole, Da:	2.98
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations