Geometry & MOs

Info

ID:	432583
PubChem CID:	135172717
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	472.257337
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	5.43
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,3S,5R,6S)-3-[(1R,2R)-1-methoxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-6-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

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[C@H](C(CC=C)C(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)C2=CNC3=CC=CC=C32

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[C@H](C(CC=C)C(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):