Geometry & MOs

Info

ID:	120403
PubChem CID:	50725605
Reduced:	BrClFO3N4C23H25 (1)
Stoich.:	ABCD3E4F23G25 (1)
Weight, g/mol:	464.139738
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	3.61
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations