Geometry & MOs

Info

ID:	440296
PubChem CID:	135230243
Reduced:	OSN7H15C17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	462.166998
ΔH_f, kcal/mol:	128.81
Dipole, Da:	6.4
IP(EA), eV:	-8.92(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-1-[(2S)-2-formamido-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations