Geometry & MOs

Info

ID:

215051

PubChem CID:

85084059

Reduced:

N7O12C29H41 (1)

Stoich.:

A7B12C29D41 (1)

Weight, g/mol:

679.332961

ΔHf, kcal/mol:

-543.39

Dipole, Da:

11.74

IP(EA), eV:

 -10.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[5-[4-(cyclopropylmethoxy)-3-hydroxyphenyl]tetrazol-2-yl]-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(=O)N)C(C)O)C(C)O)CC(=O)O)O

DOS

IR

Vibrations