Geometry & MOs

Info

ID:

106063

PubChem CID:

50148334

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-245.32

Dipole, Da:

7.79

IP(EA), eV:

 -8.56(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations