Geometry & MOs

Info

ID:	158891
PubChem CID:	57244149
Reduced:	N2O5H22C29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	6.76
IP(EA), eV:	-9.47(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diamino-2-benzoyl-4-oxo-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C=CC(=O)C6=CC=CC=C6)O

DOS

IR

Vibrations