Geometry & MOs

Info

ID:

389132

PubChem CID:

134991270

Reduced:

PN3C20H30 (1)

Stoich.:

AB3C20D30 (1)

Weight, g/mol:

531.190291

ΔHf, kcal/mol:

34.05

Dipole, Da:

2.66

IP(EA), eV:

 -8.31(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-[[(2S)-2-[[(Z)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3,3-dimethylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2N(N)N)C(C)(C)C

DOS

IR

Vibrations