Geometry & MOs

Info

ID:	302183
PubChem CID:	124360320
Reduced:	FN3O5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-263.03
Dipole, Da:	6.83
IP(EA), eV:	-9.07(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R,3S)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]1CC(=O)N(C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations