Geometry & MOs

Info

ID:	389173
PubChem CID:	134991392
Reduced:	OPF10H10C21 (2)
Stoich.:	ABC10D10E21 (2)
Weight, g/mol:	1906.85091
ΔH_f, kcal/mol:	-885.57
Dipole, Da:	2.7
IP(EA), eV:	-9.16(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-dodecylphenyl)sulfonylpyrrolidin-2-yl]methanediol;rhodium

Drug info:

Smile

CC1=CC(=CC(=C1)[C@H]([C@@H](C2=CC(=CC(=C2)C)C)OP(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F)OP(C5=C(C(=C(C(=C5F)F)F)F)F)C6=C(C(=C(C(=C6F)F)F)F)F)C

DOS

IR

Vibrations