Geometry & MOs

Info

ID:

17134

PubChem CID:

485359

Reduced:

N4O7C37H40 (1)

Stoich.:

A4B7C37D40 (1)

Weight, g/mol:

652.2897

ΔHf, kcal/mol:

-199.51

Dipole, Da:

4.33

IP(EA), eV:

 -8.52(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C[C@@H]3[C@@H]([C@H]([C@H](N(C(=O)N3CC4=CC(=CC=C4)N)CC5=CC(=CC=C5)N)CC6=CC7=C(C=C6)OCCO7)O)O

DOS

IR

Vibrations