Geometry & MOs

Info

ID:	221907
PubChem CID:	85292622
Reduced:	NSO2C22H33 (1)
Stoich.:	ABC2D22E33 (1)
Weight, g/mol:	375.045623
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	1.96
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=C(C)C2CC=CCCCCCCCCCCC(=O)O2

DOS

IR

Vibrations