Geometry & MOs

Info

ID:

54082

PubChem CID:

14720013

Reduced:

FN2O3C16H25 (2)

Stoich.:

AB2C3D16E25 (2)

Weight, g/mol:

575.27667

ΔHf, kcal/mol:

-421.16

Dipole, Da:

5.66

IP(EA), eV:

 -9.6(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[1-[[1-[2-[(6-acetamido-5,5-difluoro-2-methyl-4-oxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C(CNC(=O)CC(C)C)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations