Geometry & MOs

Info

ID:

417770

PubChem CID:

135102681

Reduced:

O2N5C13H19 (1)

Stoich.:

A2B5C13D19 (1)

Weight, g/mol:

678.410483

ΔHf, kcal/mol:

-16.41

Dipole, Da:

7.52

IP(EA), eV:

 -9.28(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,12S,15R)-12-benzyl-24-methoxy-9-[(1-methylpiperidin-4-yl)amino]-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-triene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CC(C1=NN=CN1CCOC)NC(=O)C2=CC=CN2C

DOS

IR

Vibrations