Geometry & MOs

Info

ID:	231035
PubChem CID:	87572491
Reduced:	NPSCl2O8C30H34 (1)
Stoich.:	ABCD2E8F30G34 (1)
Weight, g/mol:	296.222978
ΔH_f, kcal/mol:	-389.49
Dipole, Da:	2.72
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOP(=O)(C(C1=CSC2=C1C=C(C=C2)Cl)C(=O)N/C=C/C3=CC(=CC=C3)Cl)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations