Geometry & MOs

Info

ID:	30587
PubChem CID:	841542
Reduced:	N4O4H16C17 (1)
Stoich.:	A4B4C16D17 (1)
Weight, g/mol:	347.099143
ΔH_f, kcal/mol:	10.49
Dipole, Da:	5.99
IP(EA), eV:	-9.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclobutanecarbonylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-]

DOS

IR

Vibrations