Geometry & MOs

Info

ID:	441600
PubChem CID:	135236665
Reduced:	FN4O7C27H29 (1)
Stoich.:	AB4C7D27E29 (1)
Weight, g/mol:	626.158839
ΔH_f, kcal/mol:	-243.64
Dipole, Da:	9.41
IP(EA), eV:	-9.08(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-ethoxyquinazolin-6-yl]-2-(dithiolan-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)C(COC2=CC=CC(=C2)C=O)NC(=O)C(C(C)O)NC(=O)C3=NOC(=C3)C)F

DOS

IR

Vibrations