Geometry & MOs

Info

ID:	245008
PubChem CID:	99432115
Reduced:	N4O6H16C17 (1)
Stoich.:	A4B6C16D17 (1)
Weight, g/mol:	422.104876
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	8.36
IP(EA), eV:	-9.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=NNC(=C3[N+](=O)[O-])C

DOS

IR

Vibrations