Geometry & MOs

Info

ID:

112225

PubChem CID:

50399117

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-161.14

Dipole, Da:

2.81

IP(EA), eV:

 -8.82(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)Br)C(=O)NC4CCCC4

DOS

IR

Vibrations