Geometry & MOs

Info

ID:

113765

PubChem CID:

50457990

Reduced:

BrO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-118.58

Dipole, Da:

6.51

IP(EA), eV:

 -8.77(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations