Geometry & MOs

Info

ID:	325061
PubChem CID:	126679425
Reduced:	BrFSO4N6C23H32 (1)
Stoich.:	ABCD4E6F23G32 (1)
Weight, g/mol:	298.98071
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	6.73
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-4-iodo-N-methylaniline

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations