Geometry & MOs

Info

ID:	325096
PubChem CID:	126680610
Reduced:	Cl2F2O2N4C19H20 (1)
Stoich.:	A2B2C2D4E19F20 (1)
Weight, g/mol:	526.40221
ΔH_f, kcal/mol:	-156.79
Dipole, Da:	8.37
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(4aR,6aR,6bS,8aR,10S,12aS,14R,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicen-4a-yl]prop-2-enoate

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

CN1C=C(C=NC1=O)C(CNC(=O)C2=C(C(=CC=C2)Cl)Cl)N3CCC(CC3)(F)F

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

CN1C=C(C=NC1=O)C(CNC(=O)C2=C(C(=CC=C2)Cl)Cl)N3CCC(CC3)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):