Geometry & MOs

Info

ID:

436469

PubChem CID:

135203336

Reduced:

N2Cl3F3O5C16H16 (1)

Stoich.:

A2B3C3D5E16F16 (1)

Weight, g/mol:

1191.835889

ΔHf, kcal/mol:

-379.45

Dipole, Da:

4.03

IP(EA), eV:

-9.45(-0.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-(adamantane-1-carbonyl)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

DOS

IR

Vibrations