Geometry & MOs

Info

ID:

422023

PubChem CID:

135117023

Reduced:

O6N9C35H47 (1)

Stoich.:

A6B9C35D47 (1)

Weight, g/mol:

638.311578

ΔHf, kcal/mol:

-168.6

Dipole, Da:

7.08

IP(EA), eV:

 -8.86(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-[3-(2-fluorophenyl)propanoyl]-22-methoxy-13-[(2R)-oxolane-2-carbonyl]-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=C(C=C3)C4=NN(N=N4)C)C(C)C

DOS

IR

Vibrations