Geometry & MOs

Info

ID:

104634

PubChem CID:

50104782

Reduced:

N5O6C31H41 (1)

Stoich.:

A5B6C31D41 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-227.43

Dipole, Da:

8.19

IP(EA), eV:

 -8.55(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[3-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-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=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations