Geometry & MOs

Info

ID:

15617

PubChem CID:

446149

Reduced:

N2O2C18H21 (2)

Stoich.:

A2B2C18D21 (2)

Weight, g/mol:

594.320606

ΔHf, kcal/mol:

-59.23

Dipole, Da:

4.1

IP(EA), eV:

 -8.73(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-yl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2CC3=CC=C(C=C3)CO)N=CN)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O)O

DOS

IR

Vibrations