Geometry & MOs

Info

ID:

113331

PubChem CID:

50440595

Reduced:

BrO3N4C28H29 (1)

Stoich.:

AB3C4D28E29 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-65.21

Dipole, Da:

4.84

IP(EA), eV:

 -8.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3Br)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations