Geometry & MOs

Info

ID:

104309

PubChem CID:

50103999

Reduced:

N5O5C27H35 (1)

Stoich.:

A5B5C27D35 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-192.56

Dipole, Da:

5.37

IP(EA), eV:

 -8.49(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations