Geometry & MOs

Info

ID:	186299
PubChem CID:	77416433
Reduced:	O5C23H40 (1)
Stoich.:	A5B23C40 (1)
Weight, g/mol:	822.260451
ΔH_f, kcal/mol:	-252.41
Dipole, Da:	2.44
IP(EA), eV:	-9.54(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxymethyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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

CCCCCCC=CC1C(CCC1COC)CC=CCCC(C(=O)OC)(O)O

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

CCCCCCC=CC1C(CCC1COC)CC=CCCC(C(=O)OC)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):