Geometry & MOs

Info

ID:	387102
PubChem CID:	134984001
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	3.62
IP(EA), eV:	-9.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-2-cyano-2-methyl-4-nitro-3-phenylbutanoate

Drug info:

PubChemData

Smile

C[C@@](C#C)([C@@H](C(=O)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations