Geometry & MOs

Info

ID:

94993

PubChem CID:

50005556

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-221.26

Dipole, Da:

10.5

IP(EA), eV:

 -8.8(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations