Geometry & MOs

Info

ID:	229017
PubChem CID:	87566786
Reduced:	O2N3F7H22C25 (1)
Stoich.:	A2B3C7D22E25 (1)
Weight, g/mol:	529.160024
ΔH_f, kcal/mol:	-381.27
Dipole, Da:	6.24
IP(EA), eV:	-9.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-methyl-2-[[(1S)-1-[4-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]acetamide

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

CNC(=O)[C@H](C1=CC=C(C=C1)F)N[C@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC(F)(F)F

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

CNC(=O)[C@H](C1=CC=C(C=C1)F)N[C@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):