Geometry & MOs

Info

ID:

119373

PubChem CID:

50681098

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-193.76

Dipole, Da:

9.81

IP(EA), eV:

 -8.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl)Cl

DOS

IR

Vibrations