Geometry & MOs

Info

ID:	225248
PubChem CID:	85752901
Reduced:	NO4C15H27 (1)
Stoich.:	AB4C15D27 (1)
Weight, g/mol:	470.227768
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	5.15
IP(EA), eV:	-9.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-N-(4-nitrophenyl)hexanamide

Drug info:

PubChemData

Smile

C=CCCCCCCCCOC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations