Geometry & MOs

Info

ID:

111364

PubChem CID:

50363375

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

672.363533

ΔHf, kcal/mol:

-275.37

Dipole, Da:

12.3

IP(EA), eV:

 -8.93(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NCC(C)C

DOS

IR

Vibrations