Geometry & MOs

Info

ID:	218849
PubChem CID:	85090060
Reduced:	SiF3O5C26H39 (1)
Stoich.:	AB3C5D26E39 (1)
Weight, g/mol:	516.356323
ΔH_f, kcal/mol:	-372.29
Dipole, Da:	2.11
IP(EA), eV:	-9.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[3,4-dihydroxy-6-methyl-1-(4-phenylcyclohexyl)heptan-2-yl]amino]-1-oxopent-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3C5C(C4(C6(CO6)[Si](C)(C)C)OC(=O)C(F)(F)F)O5)C)O

DOS

IR

Vibrations