Geometry & MOs

Info

ID:

106314

PubChem CID:

50156748

Reduced:

BrO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-191.12

Dipole, Da:

10.77

IP(EA), eV:

 -8.71(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C)C

DOS

IR

Vibrations