Geometry & MOs

Info

ID:	401015
PubChem CID:	135049784
Reduced:	NC7H11 (3)
Stoich.:	AB7C11 (3)
Weight, g/mol:	401.148149
ΔH_f, kcal/mol:	48.88
Dipole, Da:	3.55
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-4-(2-methoxy-2-oxoethyl)-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C1(C23CC4CC(C2)CC(C4)C3)N=[N+]=[N-])C(C)(C)C

DOS

IR

Vibrations