Geometry & MOs

Info

ID:	427354
PubChem CID:	135157528
Reduced:	N2O7C29H56 (1)
Stoich.:	A2B7C29D56 (1)
Weight, g/mol:	720.199765
ΔH_f, kcal/mol:	-413.59
Dipole, Da:	4.41
IP(EA), eV:	-9.78(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1-[10,10-dimethyl-9-oxo-6-(5-propan-2-yloxysulfonyl-2,3-dihydroindol-1-yl)thioxanthen-3-yl]-2,3-dihydroindole-5-sulfonate

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

CCCCCCCCCCCCO[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(C)(C)C

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

CCCCCCCCCCCCO[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):