Geometry & MOs

Info

ID:	77556
PubChem CID:	49655432
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	416.101763
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	5.43
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C2=NC(=C(O2)NCC3=CC=CC=C3)C#N)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations