Geometry & MOs

Info

ID:

112345

PubChem CID:

50403501

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-270.49

Dipole, Da:

3.13

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)OC)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations