Geometry & MOs

Info

ID:

109196

PubChem CID:

50276035

Reduced:

SO4N7C30H37 (1)

Stoich.:

AB4C7D30E37 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-114.44

Dipole, Da:

10.77

IP(EA), eV:

 -8.56(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylanilino)-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations