Geometry & MOs

Info

ID:	85843
PubChem CID:	49879683
Reduced:	FN2S2O3H21C26 (1)
Stoich.:	AB2C2D3E21F26 (1)
Weight, g/mol:	323.986205
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	6.89
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)quinazolin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@H]4C[C@@H]([C@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N(C6=O)C7=CC=C(C=C7)F

DOS

IR

Vibrations