Geometry & MOs

Info

ID:	287598
PubChem CID:	104248255
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	4.62
IP(EA), eV:	-9.37(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC)NC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations