Geometry & MOs

Info

ID:

106012

PubChem CID:

50146068

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-162.5

Dipole, Da:

9.03

IP(EA), eV:

 -8.7(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[4-(phenylcarbamoyl)anilino]butan-2-yl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)CC)C)C

DOS

IR

Vibrations