Geometry & MOs

Info

ID:

110943

PubChem CID:

50344934

Reduced:

BrO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

656.368619

ΔHf, kcal/mol:

-167.74

Dipole, Da:

5.04

IP(EA), eV:

 -8.96(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4C)Br)C)C

DOS

IR

Vibrations