Geometry & MOs

Info

ID:	128178
PubChem CID:	51033939
Reduced:	N7H13C16 (1)
Stoich.:	A7B13C16 (1)
Weight, g/mol:	534.265377
ΔH_f, kcal/mol:	178.65
Dipole, Da:	5.83
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[3-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-2,2-dimethylpropyl]carbamoyl]-5-(2,5-difluorophenyl)pentanoic acid

Drug info:

PubChemData

Smile

C1C(CC1(CC#N)N2C=C(C=N2)C3=CN=NC4=C3C=CN4)C#N

DOS

IR

Vibrations