Geometry & MOs

Info

ID:	214793
PubChem CID:	85083650
Reduced:	SN5O8C28H43 (1)
Stoich.:	AB5C8D28E43 (1)
Weight, g/mol:	608.23528
ΔH_f, kcal/mol:	-364.71
Dipole, Da:	4.37
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-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)CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)OC)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)CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)OC)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):