Geometry & MOs

Info

ID:	1842
PubChem CID:	5167
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	5.68
IP(EA), eV:	-9.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations