Geometry & MOs

Info

ID:	310630
PubChem CID:	126584009
Reduced:	BrFSO2N3C14H19 (1)
Stoich.:	ABCD2E3F14G19 (1)
Weight, g/mol:	408.16314
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	4.37
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,14S,18S)-3-fluoro-13-methoxy-1,8,8,13-tetramethyl-9-oxa-14lambda4-thia-7,11,15,19-tetrazatetracyclo[10.6.1.12,6.014,18]icosa-2,4,6(20),12(19),14-pentaen-10-one

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

CC(C)(C#N)[S@@](=NCCO)(=O)C[C@@H](C1=C(C=CC(=C1)Br)F)N

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

CC(C)(C#N)[S@@](=NCCO)(=O)C[C@@H](C1=C(C=CC(=C1)Br)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):