Geometry & MOs

Info

ID:

419714

PubChem CID:

135108813

Reduced:

ON5C18H21 (1)

Stoich.:

AB5C18D21 (1)

Weight, g/mol:

623.368284

ΔHf, kcal/mol:

10.34

Dipole, Da:

3.47

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,12S,15R)-12-benzyl-24-methoxy-15-propan-2-yl-9-(propan-2-ylamino)-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

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=C(C=CC=N4)C(=O)N

DOS

IR

Vibrations