Geometry & MOs

Info

ID:	148277
PubChem CID:	53787939
Reduced:	F2N2Cl3H11C20 (1)
Stoich.:	A2B2C3D11E20 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	7.34
Dipole, Da:	2.7
IP(EA), eV:	-9.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-(1-benzyl-4-hydroxypyrrolidin-3-yl)-2-(isoquinoline-3-carbonyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=NN=C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)Cl)Cl)F

DOS

IR

Vibrations