Geometry & MOs

Info

ID:	398390
PubChem CID:	135033068
Reduced:	NSiO3C17H29 (1)
Stoich.:	ABC3D17E29 (1)
Weight, g/mol:	420.146273
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	4.98
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-ethoxycarbothioylsulfanyl-11-(2-oxothiolan-3-yl)undecanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C)CC1=CC=CC=C1

DOS

IR

Vibrations