Geometry & MOs

Info

ID:

110440

PubChem CID:

50324539

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-227.57

Dipole, Da:

6.13

IP(EA), eV:

 -8.95(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations