Geometry & MOs

Info

ID:

104673

PubChem CID:

50104865

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-216.62

Dipole, Da:

5.06

IP(EA), eV:

 -8.99(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NCC(C)C

DOS

IR

Vibrations