Geometry & MOs

Info

ID:	322944
PubChem CID:	126671627
Reduced:	O2N4C31H56 (1)
Stoich.:	A2B4C31D56 (1)
Weight, g/mol:	402.171224
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	1.87
IP(EA), eV:	-8.62(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[3-[3-(4-methylphenyl)sulfonyloxypropoxy]propoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)NC1CC(C1)OC2=NC=C(C=C2)C(C)(C)CCC(C)(C)N[C@H]3CCN(C3)CCOC(C)(C)C

DOS

IR

Vibrations