Geometry & MOs

Info

ID:

109345

PubChem CID:

50281229

Reduced:

BrFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-193.1

Dipole, Da:

4.84

IP(EA), eV:

 -8.74(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C)C)F

DOS

IR

Vibrations