Geometry & MOs

Info

ID:	218071
PubChem CID:	85088817
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	425.187209
ΔH_f, kcal/mol:	-173.0
Dipole, Da:	3.22
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(methoxymethoxymethyl)-2-(4-methylphenoxy)carbothioyloxycyclopentyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCC2OCCO2)C3=CN=CC=C3

DOS

IR

Vibrations