Geometry & MOs

Info

ID:	34925
PubChem CID:	7979094
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	5.7
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations