Geometry & MOs

Info

ID:

297107

PubChem CID:

117609141

Reduced:

FON2C15H15 (2)

Stoich.:

ABC2D15E15 (2)

Weight, g/mol:

1114.493083

ΔHf, kcal/mol:

-89.35

Dipole, Da:

5.73

IP(EA), eV:

 -9.14(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1[C@H](C2=NC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F)N)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations