Geometry & MOs

Info

ID:	168578
PubChem CID:	74989771
Reduced:	NS2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	1382.689727
ΔH_f, kcal/mol:	-142.8
Dipole, Da:	1.86
IP(EA), eV:	-9.18(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1O)C(=O)OC)OCC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3

DOS

IR

Vibrations