Geometry & MOs

Info

ID:

109164

PubChem CID:

50275205

Reduced:

ClO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

786.335268

ΔHf, kcal/mol:

-159.52

Dipole, Da:

12.59

IP(EA), eV:

 -8.5(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations