Geometry & MOs

Info

ID:

433315

PubChem CID:

135173452

Reduced:

BrSF2O2N3H12C17 (1)

Stoich.:

ABC2D2E3F12G17 (1)

Weight, g/mol:

857.552731

ΔHf, kcal/mol:

-52.52

Dipole, Da:

5.34

IP(EA), eV:

 -9.13(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(1R,6S,11S,17S,30S)-11-[[(2R)-2-amino-2-(methylamino)acetyl]amino]-5,12-dioxo-19,28-bis(2-phenylethyl)-22,25-dioxa-4,13,19,28-tetrazapentacyclo[24.4.0.04,30.013,17.016,21]triacontan-6-yl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C=CCS(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Br)F

DOS

IR

Vibrations