Geometry & MOs

Info

ID:

102783

PubChem CID:

50069719

Reduced:

BrO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-168.66

Dipole, Da:

11.9

IP(EA), eV:

 -8.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)NC

DOS

IR

Vibrations