Geometry & MOs

Info

ID:

109270

PubChem CID:

50279207

Reduced:

N6O6C41H54 (1)

Stoich.:

A6B6C41D54 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-245.1

Dipole, Da:

8.8

IP(EA), eV:

 -8.49(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC)C

DOS

IR

Vibrations