Geometry & MOs

Info

ID:	167073
PubChem CID:	74776633
Reduced:	O2F3N7C24H24 (1)
Stoich.:	A2B3C7D24E24 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	8.9
IP(EA), eV:	-8.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C3C(CN2)C(=O)NC(N3)N4C(=CC(=N4)C)NC(=O)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations