Geometry & MOs

Info

ID:	398552
PubChem CID:	135033842
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	433.139545
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	1.92
IP(EA), eV:	-9.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(C)CCC2=CC=CC=C2

DOS

IR

Vibrations