Geometry & MOs

Info

ID:

104728

PubChem CID:

50104973

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-201.15

Dipole, Da:

8.13

IP(EA), eV:

 -8.29(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations