Geometry & MOs

Info

ID:

90885

PubChem CID:

49972423

Reduced:

N6O7C40H50 (1)

Stoich.:

A6B7C40D50 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-256.25

Dipole, Da:

9.59

IP(EA), eV:

 -8.52(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations