Geometry & MOs

Info

ID:	30245
PubChem CID:	841033
Reduced:	O3N4H6C8 (1)
Stoich.:	A3B4C6D8 (1)
Weight, g/mol:	321.083493
ΔH_f, kcal/mol:	41.76
Dipole, Da:	6.82
IP(EA), eV:	-10.51(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-fluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1[N+](=O)[O-])C=O

DOS

IR

Vibrations