Geometry & MOs

Info

ID:	160752
PubChem CID:	57389683
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	571.175262
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	2.31
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(C)C)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations