Geometry & MOs

Info

ID:	396820
PubChem CID:	135029276
Reduced:	SO2C31H40 (2)
Stoich.:	AB2C31D40 (2)
Weight, g/mol:	1384.852634
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	3.96
IP(EA), eV:	-8.25(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)SC4=C2SC(=C5C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)C4=C6C=C(C(=O)C(=C6)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations