Geometry & MOs

Info

ID:

93717

PubChem CID:

49996329

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-247.74

Dipole, Da:

9.86

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations