Geometry & MOs

Info

ID:	190341
PubChem CID:	77989897
Reduced:	ON3F7H16C22 (1)
Stoich.:	AB3C7D16E22 (1)
Weight, g/mol:	666.263582
ΔH_f, kcal/mol:	-326.67
Dipole, Da:	5.53
IP(EA), eV:	-9.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[1-(4-fluorophenyl)ethyl]-3-N-[3-hydroxy-4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

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

C1=CC=C(C(=C1)CNC(=O)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)C(F)(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

C1=CC=C(C(=C1)CNC(=O)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)C(F)(F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):