Geometry & MOs

Info

ID:	30438
PubChem CID:	841337
Reduced:	O4N5H13C16 (1)
Stoich.:	A4B5C13D16 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	60.39
Dipole, Da:	7.58
IP(EA), eV:	-9.75(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CN(N=C1)CC2=CC=C(O2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations