Geometry & MOs

Info

ID:

105888

PubChem CID:

50140638

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-229.01

Dipole, Da:

7.23

IP(EA), eV:

 -8.85(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C

DOS

IR

Vibrations