Geometry & MOs

Info

ID:	312203
PubChem CID:	126603578
Reduced:	O2F3N4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	711.197649
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	3.36
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-fluorophenyl)methyl]-5-[6-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

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

CC1C(C=CO1)C(=O)NC2=NN(C3=C2C=CC(=N3)C)CC4=CC=C(C=C4)C(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

CC1C(C=CO1)C(=O)NC2=NN(C3=C2C=CC(=N3)C)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):