Geometry & MOs

Info

ID:

54095

PubChem CID:

14720093

Reduced:

F2N4O6C31H50 (1)

Stoich.:

A2B4C6D31E50 (1)

Weight, g/mol:

577.29232

ΔHf, kcal/mol:

-422.93

Dipole, Da:

1.92

IP(EA), eV:

 -9.55(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CNC(=O)C(C)C)(F)F)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations