Geometry & MOs

Info

ID:

180359

PubChem CID:

76620982

Reduced:

N2O7C29H32 (1)

Stoich.:

A2B7C29D32 (1)

Weight, g/mol:

457.200156

ΔHf, kcal/mol:

-197.5

Dipole, Da:

6.36

IP(EA), eV:

 -8.05(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-(cyclopropylmethyl)-2,17-dihydroxy-10-methyl-15-oxa-6,12,23-triazaheptacyclo[14.9.1.01,14.02,22.04,13.07,12.020,26]hexacosa-4(13),6,8,10,16,18,20(26)-heptaen-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=C(C3C45CCN(C(C4(C2)O)CC6=C5C(=C(C=C6)O)O3)CC7CC7)O)OC

DOS

IR

Vibrations