Geometry & MOs

Info

ID:	43909
PubChem CID:	10321969
Reduced:	O4N7C22H33 (1)
Stoich.:	A4B7C22D33 (1)
Weight, g/mol:	459.171559
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	4.74
IP(EA), eV:	-9.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-(2-oxo-4-phenylbutylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

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@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CCCN=C(N)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@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CCCN=C(N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):