Geometry & MOs

Info

ID:	133309
PubChem CID:	51507003
Reduced:	ClF3N3O3H19C25 (1)
Stoich.:	AB3C3D3E19F25 (1)
Weight, g/mol:	405.096955
ΔH_f, kcal/mol:	-175.39
Dipole, Da:	9.68
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=N[C@](C2=O)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations