Geometry & MOs

Info

ID:	148902
PubChem CID:	53788572
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	234.111208
ΔH_f, kcal/mol:	0.13
Dipole, Da:	2.78
IP(EA), eV:	-8.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-pentyl pentylsulfanylmethanethioate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C#COO)NC(=O)CC(C)C2=C(C=C(C(=C2C)C)C)C

DOS

IR

Vibrations