Geometry & MOs

Info

ID:	44404
PubChem CID:	10503395
Reduced:	BrN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	443.132865
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	3.84
IP(EA), eV:	-7.75(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[3-(methoxymethyl)-1,2-oxazol-5-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C=C2CCNC(=O)C)CCCC3=CC=CC=C3Br

DOS

IR

Vibrations