Geometry & MOs

Info

ID:	43723
PubChem CID:	10321698
Reduced:	NSO2C28H39 (1)
Stoich.:	ABC2D28E39 (1)
Weight, g/mol:	453.269921
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	2.34
IP(EA), eV:	-8.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-7-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-7-pyridin-3-ylhept-6-enoate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OCC3=CC=CC=C3)[S@@](=O)N[C@H](C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations