Geometry & MOs

Info

ID:

389004

PubChem CID:

134990875

Reduced:

NaO6C25H31 (1)

Stoich.:

AB6C25D31 (1)

Weight, g/mol:

686.215883

ΔHf, kcal/mol:

-297.38

Dipole, Da:

6.44

IP(EA), eV:

 -8.89(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-7-amino-7-methoxy-3-[[1-[2-[(4-methylphenyl)methoxycarbonyloxy]ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)/[O-].[Na+]

DOS

IR

Vibrations