Geometry & MOs

Info

ID:

109883

PubChem CID:

50300644

Reduced:

BrO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-149.37

Dipole, Da:

5.7

IP(EA), eV:

 -8.78(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)Br)C(=O)N(C)C

DOS

IR

Vibrations