Geometry & MOs

Info

ID:	307941
PubChem CID:	125310819
Reduced:	BrSO3N5C17H20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	552.366628
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	7.3
IP(EA), eV:	-9.38(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-6-[2-[(1R,2R,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol

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

CCN(CC)C(=O)CSC1=NC(=O)[C@H](C(=N1)N)NC(=O)C2=CC=C(C=C2)Br

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

CCN(CC)C(=O)CSC1=NC(=O)[C@H](C(=N1)N)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):