Geometry & MOs

Info

ID:	221941
PubChem CID:	85292920
Reduced:	N5O7C17H21 (1)
Stoich.:	A5B7C17D21 (1)
Weight, g/mol:	406.0272
ΔH_f, kcal/mol:	-199.44
Dipole, Da:	2.4
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-3-methoxy-1-methylsulfanylhept-1-enyl)sulfonyl-4-methylbenzene

Drug info:

PubChemData

Smile

C=CCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)NC(=O)OCC=C

DOS

IR

Vibrations