Geometry & MOs

Info

ID:	391441
PubChem CID:	135005099
Reduced:	NS2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	645.73193
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	4.42
IP(EA), eV:	-8.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CSC(=C(C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4)S1

DOS

IR

Vibrations