Geometry & MOs

Info

ID:	56172
PubChem CID:	17422342
Reduced:	ClFSO2N3H13C16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	389.081016
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	5.6
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-aminoquinazolin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations