Geometry & MOs

Info

ID:

113391

PubChem CID:

50442220

Reduced:

BrClFO4N5C33H36 (1)

Stoich.:

ABCD4E5F33G36 (1)

Weight, g/mol:

661.307576

ΔHf, kcal/mol:

-182.53

Dipole, Da:

7.63

IP(EA), eV:

 -8.97(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)Cl)C

DOS

IR

Vibrations