Geometry & MOs

Info

ID:	411888
PubChem CID:	135084740
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	828.94919
ΔH_f, kcal/mol:	-152.54
Dipole, Da:	3.64
IP(EA), eV:	-9.82(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;difluorocopper;pentafluoro-lambda5-stibane

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(O)O)N1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O

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(O)O)N1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):