Geometry & MOs

Info

ID:	387339
PubChem CID:	134984991
Reduced:	NSO2C11H16 (2)
Stoich.:	ABC2D11E16 (2)
Weight, g/mol:	433.246438
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	1.45
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,4aS,8S,8aS)-2-(methoxymethoxy)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-4,6-dimethyl-8-nitro-2,3,4a,7,8,8a-hexahydro-1H-naphthalene

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

CCN(CC)S(=O)(=O)[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)[C@@]3(CN3)SC4=CC=CC=C4

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

CCN(CC)S(=O)(=O)[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)[C@@]3(CN3)SC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):