Geometry & MOs

Info

ID:

113312

PubChem CID:

50439427

Reduced:

BrF3O4N5C31H31 (1)

Stoich.:

AB3C4D5E31F31 (1)

Weight, g/mol:

599.21263

ΔHf, kcal/mol:

-247.75

Dipole, Da:

7.46

IP(EA), eV:

 -8.97(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Br)F)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations