Geometry & MOs

Info

ID:

107897

PubChem CID:

50223251

Reduced:

SO4N7C30H45 (1)

Stoich.:

AB4C7D30E45 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-164.47

Dipole, Da:

5.3

IP(EA), eV:

 -9.07(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-chloroanilino)-3-oxopropyl]-1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=NN=C(S3)C(C)C)C

DOS

IR

Vibrations