Geometry & MOs

Info

ID:

162464

PubChem CID:

57394749

Reduced:

BrClOSN4H12C16 (1)

Stoich.:

ABCDE4F12G16 (1)

Weight, g/mol:

525.27111

ΔHf, kcal/mol:

84.48

Dipole, Da:

7.56

IP(EA), eV:

 -8.76(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-amino-3-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C2=NN=C3N2NC(S3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations