Geometry & MOs

Info

ID:	392208
PubChem CID:	135013685
Reduced:	Si2N3O5C24H37 (1)
Stoich.:	A2B3C5D24E37 (1)
Weight, g/mol:	554.27405
ΔH_f, kcal/mol:	-185.38
Dipole, Da:	4.4
IP(EA), eV:	-9.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(5R)-2-(benzylcarbamoyl)-5-(hydroxymethyl)pyrrolidin-1-yl]-1,4-dioxo-4-(phenylmethoxyamino)butan-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OC1C(OC2(COC(OC2C1N=[N+]=[N-])C3=CC=CC=C3)O)C#C[Si](C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OC1C(OC2(COC(OC2C1N=[N+]=[N-])C3=CC=CC=C3)O)C#C[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):