Geometry & MOs

Info

ID:	46691
PubChem CID:	10526300
Reduced:	NSO6C21H29 (1)
Stoich.:	ABC6D21E29 (1)
Weight, g/mol:	423.153571
ΔH_f, kcal/mol:	-275.75
Dipole, Da:	5.05
IP(EA), eV:	-9.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5S,7aR)-5-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfonyl-4,4a,5,7a-tetrahydrocyclopenta[d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=CC(=C1)CCCSC(=O)C

DOS

IR

Vibrations