Geometry & MOs

Info

ID:	327682
PubChem CID:	126690730
Reduced:	SF2O2N5H13C18 (1)
Stoich.:	AB2C2D5E13F18 (1)
Weight, g/mol:	198.042072
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	5.55
IP(EA), eV:	-8.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-azidoethyl)-4-chloropyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=CC3=C(N=C2)N=S(=O)(N3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations