Geometry & MOs

Info

ID:	336506
PubChem CID:	127255513
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	666.159808
ΔH_f, kcal/mol:	45.4
Dipole, Da:	1.61
IP(EA), eV:	-8.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

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

C[C@@H]1CCNC[C@@H]1C2=NC3=C(C=CN3)C(=N2)NC

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

C[C@@H]1CCNC[C@@H]1C2=NC3=C(C=CN3)C(=N2)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):