Geometry & MOs

Info

ID:	323172
PubChem CID:	126673202
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	92.03
Dipole, Da:	5.75
IP(EA), eV:	-9.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NN2C1=NC=C2C3=CC=NC=C3)N

DOS

IR

Vibrations