Geometry & MOs

Info

ID:	312789
PubChem CID:	126608650
Reduced:	P7S13O17C69H145 (1)
Stoich.:	A7B13C17D69E145 (1)
Weight, g/mol:	386.05543
ΔH_f, kcal/mol:	-1587.49
Dipole, Da:	15.78
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-difluoro-4-methylcyclohexyl) 4-iodocyclohexane-1-carboxylate

Drug info:

Smile

CC(C)CC(C)OP(=O)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCCC(=O)O

DOS

IR

Vibrations