Geometry & MOs

Info

ID:	383291
PubChem CID:	134974928
Reduced:	SN2O20C36H50 (1)
Stoich.:	AB2C20D36E50 (1)
Weight, g/mol:	338.391252
ΔH_f, kcal/mol:	-938.34
Dipole, Da:	5.23
IP(EA), eV:	-9.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-5-methylnonadecane

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSC(=O)C)C(=O)NC1C(OC(C(C1OC(=O)C)OC(=O)C)COC(=O)C)CC2C(C(C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations