Geometry & MOs

Info

ID:	427048
PubChem CID:	135155247
Reduced:	BrSF2N3O4C28H36 (1)
Stoich.:	ABC2D3E4F28G36 (1)
Weight, g/mol:	226.98066
ΔH_f, kcal/mol:	-237.82
Dipole, Da:	5.88
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-azidoethyl)-5-bromopyrimidine

Drug info:

PubChemData

Smile

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)N2C3CCC2CC(C3)N)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations