Geometry & MOs

Info

ID:

103880

PubChem CID:

50080740

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-172.92

Dipole, Da:

9.31

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations