Geometry & MOs

Info

ID:	406085
PubChem CID:	135076464
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	324.92307
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	5.08
IP(EA), eV:	-9.75(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromothiophen-3-yl)-2-isocyano-1-methylsulfanylethenyl]furan

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CN1C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations