Geometry & MOs

Info

ID:

95906

PubChem CID:

50016627

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-245.62

Dipole, Da:

7.31

IP(EA), eV:

 -8.93(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N)OC

DOS

IR

Vibrations