Geometry & MOs

Info

ID:

104471

PubChem CID:

50104350

Reduced:

SO4N7C27H39 (1)

Stoich.:

AB4C7D27E39 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-149.5

Dipole, Da:

5.59

IP(EA), eV:

 -8.86(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations