Geometry & MOs

Info

ID:

115633

PubChem CID:

50529347

Reduced:

ClO3N4C28H37 (1)

Stoich.:

AB3C4D28E37 (1)

Weight, g/mol:

720.283839

ΔHf, kcal/mol:

-138.55

Dipole, Da:

4.28

IP(EA), eV:

 -8.54(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations