Geometry & MOs

Info

ID:

82654

PubChem CID:

49856289

Reduced:

N4O5H26C29 (1)

Stoich.:

A4B5C26D29 (1)

Weight, g/mol:

597.207527

ΔHf, kcal/mol:

-33.03

Dipole, Da:

6.42

IP(EA), eV:

 -9.18(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R)-2-[4-(1,1-difluoroethyl)phenyl]-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2H-pyrrol-4-yl]oxy]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)OC5=NOC(=C5)C

DOS

IR

Vibrations