Geometry & MOs

Info

ID:	30637
PubChem CID:	841602
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	349.073242
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	8.36
IP(EA), eV:	-9.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CC2=C(N(N=C2C)C)C)[N+](=O)[O-]

DOS

IR

Vibrations