Geometry & MOs

Info

ID:	185201
PubChem CID:	77268882
Reduced:	NSF3O4H22C26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-211.32
Dipole, Da:	6.23
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[(3,4-dimethylphenyl)methylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=C(C=C3)C(C4=NOC=C4)C(C)C(=O)O

DOS

IR

Vibrations