Geometry & MOs

Info

ID:	300916
PubChem CID:	123055398
Reduced:	NF3O4H26C29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	498.215472
ΔH_f, kcal/mol:	-247.69
Dipole, Da:	10.89
IP(EA), eV:	-9.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]phenyl]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

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(C)C)/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

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):