Geometry & MOs

Info

ID:

414748

PubChem CID:

135087709

Reduced:

O2N4C19H24 (1)

Stoich.:

A2B4C19D24 (1)

Weight, g/mol:

657.316249

ΔHf, kcal/mol:

-24.08

Dipole, Da:

4.59

IP(EA), eV:

 -8.98(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[5-(4-methoxyphenyl)furan-2-carbonyl]-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)N4C=CC=N4)C

DOS

IR

Vibrations