Geometry & MOs

Info

ID:

219592

PubChem CID:

85149389

Reduced:

N4O7C32H44 (1)

Stoich.:

A4B7C32D44 (1)

Weight, g/mol:

596.240163

ΔHf, kcal/mol:

-270.21

Dipole, Da:

2.74

IP(EA), eV:

 -9.2(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(4-chlorophenyl)methoxymethyl]-5-hydroxy-4-methoxy-2-[(4-phenylphenyl)methoxy]oxan-3-yl]-3-(diaminomethylideneamino)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCNCCNC(=O)OCC3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations