Geometry & MOs

Info

ID:

114625

PubChem CID:

50490528

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-170.76

Dipole, Da:

9.67

IP(EA), eV:

 -8.85(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)N)C

DOS

IR

Vibrations