Geometry & MOs

Info

ID:	303473
PubChem CID:	124489781
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	451.120192
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	3.42
IP(EA), eV:	-9.58(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[(1S,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]([C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N)C(=O)O

DOS

IR

Vibrations