Geometry & MOs

Info

ID:

107247

PubChem CID:

50196134

Reduced:

N6O7C40H50 (1)

Stoich.:

A6B7C40D50 (1)

Weight, g/mol:

744.364676

ΔHf, kcal/mol:

-249.31

Dipole, Da:

3.93

IP(EA), eV:

 -8.75(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations