Geometry & MOs

Info

ID:	232888
PubChem CID:	87577415
Reduced:	N3O5C7H7 (1)
Stoich.:	A3B5C7D7 (1)
Weight, g/mol:	497.064604
ΔH_f, kcal/mol:	5.19
Dipole, Da:	8.81
IP(EA), eV:	-10.04(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[2-[5-(6-chloropyridin-3-yl)sulfonyl-4-(2-fluoropyridin-3-yl)thiophen-2-yl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NO

DOS

IR

Vibrations