Geometry & MOs

Info

ID:	146722
PubChem CID:	53735337
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	522.12092
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	6.59
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-7-acetyloxy-3-[acetyloxy(azido)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2=C(CC(N1C(=O)C3=CC=CC=C3)N4CCCC4)C=CC(=C2)NC(=O)CN

DOS

IR

Vibrations