Geometry & MOs

Info

ID:	17274
PubChem CID:	491201
Reduced:	SO3N6H30C31 (1)
Stoich.:	AB3C6D30E31 (1)
Weight, g/mol:	566.21001
ΔH_f, kcal/mol:	9.66
Dipole, Da:	3.34
IP(EA), eV:	-8.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)-2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-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

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C6=CSC(=N6)N)N=C2C7=COC=C7

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

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C6=CSC(=N6)N)N=C2C7=COC=C7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):