Geometry & MOs

Info

ID:	184444
PubChem CID:	77161459
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	497.35365
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	1.93
IP(EA), eV:	-8.6(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-methyl 4-[1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-propan-2-ylcyclohexyl]pyrrolidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2(CCNCC2)C3=C1C=C(C=C3)NC(=O)C4C=NC5=CC=CC=C5C4=O

DOS

IR

Vibrations