Geometry & MOs

Info

ID:	385985
PubChem CID:	134980471
Reduced:	N5C26H41 (1)
Stoich.:	A5B26C41 (1)
Weight, g/mol:	392.202131
ΔH_f, kcal/mol:	26.42
Dipole, Da:	5.66
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-methoxy-1-oxopropan-2-yl)-1-methyl-2-(phenylsulfanylmethyl)cyclopentyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1CCC=C([C@]1(C)CC/C(=C/CC/C(=C/CN2CN(C3=NC=NC(=C32)N)C)/C)/C)C

DOS

IR

Vibrations