Geometry & MOs

Info

ID:

93943

PubChem CID:

49997740

Reduced:

SO4N7C27H39 (1)

Stoich.:

AB4C7D27E39 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-147.75

Dipole, Da:

11.17

IP(EA), eV:

 -8.8(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations