Geometry & MOs

Info

ID:

99570

PubChem CID:

50051646

Reduced:

BrF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-223.63

Dipole, Da:

10.98

IP(EA), eV:

 -8.87(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-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)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations