Geometry & MOs

Info

ID:

185781

PubChem CID:

77347250

Reduced:

N2O11C35H40 (1)

Stoich.:

A2B11C35D40 (1)

Weight, g/mol:

648.268295

ΔHf, kcal/mol:

-395.95

Dipole, Da:

7.05

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-(methoxymethoxy)benzoyl]amino]-4-[4-[2-(methoxymethoxy)-5-propan-2-ylbenzoyl]benzoyl]oxyazepane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCOC)C)C(=O)NC2CN(CCCC2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)OC)OCOC)C(=O)O

DOS

IR

Vibrations