Geometry & MOs

Info

ID:	199846
PubChem CID:	79306909
Reduced:	BrSN3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	68.78
Dipole, Da:	2.41
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-ethyloxan-4-yl)-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)N2C3=C(C=C(C=N3)Br)NC2=S

DOS

IR

Vibrations