Geometry & MOs

Info

ID:

109042

PubChem CID:

50270482

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-240.15

Dipole, Da:

11.19

IP(EA), eV:

 -8.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations