Geometry & MOs

Info

ID:	443253
PubChem CID:	135258286
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	4.64
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethoxymethyl)-4-(2-propan-2-yloxyethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3CCCN3C(=O)C(C(C)(C)C)NC(=O)C

DOS

IR

Vibrations