Geometry & MOs

Info

ID:	49812
PubChem CID:	11533869
Reduced:	NO3F7C26H26 (1)
Stoich.:	AB3C7D26E26 (1)
Weight, g/mol:	532.12154
ΔH_f, kcal/mol:	-484.06
Dipole, Da:	4.32
IP(EA), eV:	-9.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-(4-bromo-1,3-thiazol-2-yl)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(4-methoxyphenyl)methyl]-2-phenylethanamine

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

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]([C@@H]2C3=CC=C(C=C3)F)[C@]4(C[C@H](C(=O)N4)O)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

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]([C@@H]2C3=CC=C(C=C3)F)[C@]4(C[C@H](C(=O)N4)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):