Geometry & MOs

Info

ID:	133127
PubChem CID:	51480707
Reduced:	O2N3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	7.79
IP(EA), eV:	-9.54(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methylbenzoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=C3C(=NC(=O)NC3=O)C)C

DOS

IR

Vibrations