Geometry & MOs

Info

ID:

168880

PubChem CID:

75033160

Reduced:

N2O4C29H38 (1)

Stoich.:

A2B4C29D38 (1)

Weight, g/mol:

527.322003

ΔHf, kcal/mol:

-151.53

Dipole, Da:

4.43

IP(EA), eV:

 -9.43(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[cyclohexylmethyl(methyl)amino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(CO3)(C)C)C(C(C)C)C(=O)OC

DOS

IR

Vibrations