Geometry & MOs

Info

ID:

104765

PubChem CID:

50105358

Reduced:

ClO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-187.36

Dipole, Da:

3.5

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations