Geometry & MOs

Info

ID:	446814
PubChem CID:	135277923
Reduced:	NCl2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	799.180028
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	1.82
IP(EA), eV:	-9.73(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-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

COC(=O)C1=C(C2=C(C=C1)N=CC(=C2)Cl)Cl

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

COC(=O)C1=C(C2=C(C=C1)N=CC(=C2)Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):