Geometry & MOs

Info

ID:	148971
PubChem CID:	53788642
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	474.157306
ΔH_f, kcal/mol:	7.99
Dipole, Da:	2.62
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-3-(2-morpholin-4-ylethoxyiminomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C(=CNCC3=CC=NC=C3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations