Geometry & MOs

Info

ID:	190847
PubChem CID:	78067987
Reduced:	O6N8C23H28 (1)
Stoich.:	A6B8C23D28 (1)
Weight, g/mol:	449.227434
ΔH_f, kcal/mol:	-201.08
Dipole, Da:	7.69
IP(EA), eV:	-8.46(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC3=CN=CN3)N

DOS

IR

Vibrations