Geometry & MOs

Info

ID:

329066

PubChem CID:

126730940

Reduced:

NO13C57H73 (1)

Stoich.:

AB13C57D73 (1)

Weight, g/mol:

458.218188

ΔHf, kcal/mol:

-530.52

Dipole, Da:

6.8

IP(EA), eV:

 -9.07(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[4-[ethoxy(methyl)phosphoryl]oxy-3-(hydroxymethyl)anilino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCC1CC(OC(O1)C2=CC=CC=C2O)CCCC3CC(OC(O3)C4=CC=C(C=C4)C#N)CC(CCCC5CC(OC(O5)C6=CC(=CC=C6)O)CCCC(CC7C[C@@H](OC(O7)C8=CC=CC=C8O)C)O)O

DOS

IR

Vibrations