Geometry & MOs

Info

ID:

326968

PubChem CID:

126688778

Reduced:

ClFSO4N7C20H21 (1)

Stoich.:

ABCD4E7F20G21 (1)

Weight, g/mol:

634.33665

ΔHf, kcal/mol:

-97.31

Dipole, Da:

3.52

IP(EA), eV:

 -8.46(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[[(6S,11bR)-10,11-dihydroxy-2,2-dimethyl-5-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,6,7,11b-tetrahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl]amino]-1-oxopropan-2-yl]-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)C5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations