Geometry & MOs

Info

ID:	440298
PubChem CID:	135230245
Reduced:	BrO2S2N8C18H19 (1)
Stoich.:	AB2C2D8E18F19 (1)
Weight, g/mol:	406.104397
ΔH_f, kcal/mol:	73.85
Dipole, Da:	5.35
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC(=CS1)CSC2=NC3=C(N2C4=NN=NN4C)C=C(C=C3)Br

DOS

IR

Vibrations