Geometry & MOs

Info

ID:

419873

PubChem CID:

135109479

Reduced:

ON5C21H27 (1)

Stoich.:

AB5C21D27 (1)

Weight, g/mol:

686.342798

ΔHf, kcal/mol:

10.39

Dipole, Da:

4.15

IP(EA), eV:

 -8.96(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)C)C(=O)N(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations