Geometry & MOs

Info

ID:	46897
PubChem CID:	10528220
Reduced:	S2O6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	367.202168
ΔH_f, kcal/mol:	-217.85
Dipole, Da:	3.07
IP(EA), eV:	-8.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 17-ethyl-13-methoxy-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-1(18),4(12),5,7,9,16-hexaene-13-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

CC1=CC=C(C=C1)[S@](=O)C[C@H]([C@H]2[C@@H](OC(O2)(C)C)[C@@H](C[S@@](=O)C3=CC=C(C=C3)C)O)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)[S@](=O)C[C@H]([C@H]2[C@@H](OC(O2)(C)C)[C@@H](C[S@@](=O)C3=CC=C(C=C3)C)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):