Geometry & MOs

Info

ID:

107397

PubChem CID:

50201335

Reduced:

BrFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

552.231888

ΔHf, kcal/mol:

-124.56

Dipole, Da:

2.51

IP(EA), eV:

 -9.0(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations