Geometry & MOs

Info

ID:	446398
PubChem CID:	135274674
Reduced:	F8N8S8O33C58H96 (1)
Stoich.:	A8B8C8D33E58F96 (1)
Weight, g/mol:	276.158158
ΔH_f, kcal/mol:	-947.23
Dipole, Da:	8.18
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5,7-bis(propan-2-ylsulfanyl)heptan-3-one

Drug info:

Smile

CC(NC(=S)OCC(C)(COC(=S)NC(C)OOF)C(=O)OCC(COCC(COC(=O)C(C)(COC(=S)NCCOCCOF)COC(=S)NCCOCCOF)OC(=O)C(C)(COC(NCCOCCOF)S)COC(=S)NCCOCCOF)OC(=O)C(C)(COC(=S)NC(C)OOF)COC(=S)NC(C)OOF)OOF

DOS

IR

Vibrations