Geometry & MOs

Info

ID:	243557
PubChem CID:	99226808
Reduced:	N3O5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	7.55
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-nitro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CNC(=O)C1=C(C=CC(=C1)OC)[N+](=O)[O-])N2CCOCC2

DOS

IR

Vibrations