Geometry & MOs

Info

ID:	381176
PubChem CID:	134971827
Reduced:	O2C27H48 (1)
Stoich.:	A2B27C48 (1)
Weight, g/mol:	496.159414
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	4.15
IP(EA), eV:	-9.84(2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carbonyl]amino]ethenyl]-1,3-oxazole-4-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

CCCCCCCCC1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C

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

CCCCCCCCC1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):