Geometry & MOs

Info

ID:	188793
PubChem CID:	77767415
Reduced:	N2C11H14 (2)
Stoich.:	A2B11C14 (2)
Weight, g/mol:	598.300264
ΔH_f, kcal/mol:	64.2
Dipole, Da:	4.55
IP(EA), eV:	-7.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-hydroxy-6-phenyl-5-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]hexanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN1C2=NC3=C(C=C(C=C3)C=C)C(=C2C=N1)NC(C)C4CCCCC4

DOS

IR

Vibrations