Geometry & MOs

Info

ID:	158621
PubChem CID:	56464327
Reduced:	FOSN6C22H25 (1)
Stoich.:	ABCD6E22F25 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	1.58
Dipole, Da:	4.04
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations