Geometry & MOs

Info

ID:	49408
PubChem CID:	11532984
Reduced:	SF2N2O5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	474.201553
ΔH_f, kcal/mol:	-224.4
Dipole, Da:	5.32
IP(EA), eV:	-9.83(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethyl-4-quinoxalin-2-yloxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CN([C@H](C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations