Geometry & MOs

Info

ID:

219781

PubChem CID:

85164890

Reduced:

O6N11C26H35 (1)

Stoich.:

A6B11C26D35 (1)

Weight, g/mol:

597.305015

ΔHf, kcal/mol:

-126.79

Dipole, Da:

4.4

IP(EA), eV:

 -8.58(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[7-[3-hydroxy-6-[[methyl(1-phenylethyl)amino]methyl]oxan-2-yl]oxy-4-methoxy-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC(=O)NC1=CN(C(=N1)C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCCN(C)C)C)C)C

DOS

IR

Vibrations