Geometry & MOs

Info

ID:

96965

PubChem CID:

50026514

Reduced:

BrClF2O4N5H29C30 (1)

Stoich.:

ABC2D4E5F29G30 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-204.13

Dipole, Da:

10.23

IP(EA), eV:

 -9.15(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(4-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations