Geometry & MOs

Info

ID:	44711
PubChem CID:	10505503
Reduced:	S2O3N4C24H42 (1)
Stoich.:	A2B3C4D24E42 (1)
Weight, g/mol:	498.283522
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	3.36
IP(EA), eV:	-8.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](CN(C)[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC[C@H](CS)N

DOS

IR

Vibrations