Geometry & MOs

Info

ID:

90453

PubChem CID:

49969823

Reduced:

SO4N7C30H43 (1)

Stoich.:

AB4C7D30E43 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-153.44

Dipole, Da:

12.92

IP(EA), eV:

 -8.84(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations