Geometry & MOs

Info

ID:	218205
PubChem CID:	85089026
Reduced:	BrSN2O5C17H17 (1)
Stoich.:	ABC2D5E17F17 (1)
Weight, g/mol:	439.08238
ΔH_f, kcal/mol:	-168.76
Dipole, Da:	3.29
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C2C(C(=O)NC1=O)SC=C2C3=CC=C(C=C3)Br

DOS

IR

Vibrations