Geometry & MOs

Info

ID:	298467
PubChem CID:	117650033
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	604.147109
ΔH_f, kcal/mol:	36.58
Dipole, Da:	2.34
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(6-aminopyridin-3-yl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-4-chloro-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C2CCCC/C(=N\OCCCC3=NC(=CC=C3)/C(=N/OC)/C)/C2=CC4=CC=CC=C14

DOS

IR

Vibrations