Geometry & MOs

Info

ID:	196999
PubChem CID:	78907573
Reduced:	NSBr2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	215.025229
ΔH_f, kcal/mol:	78.6
Dipole, Da:	1.88
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)Br

DOS

IR

Vibrations