Geometry & MOs

Info

ID:	233664
PubChem CID:	91148371
Reduced:	P2S2N4O7C12H16 (1)
Stoich.:	A2B2C4D7E12F16 (1)
Weight, g/mol:	467.196883
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	7.89
IP(EA), eV:	-8.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[[2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SOONP(=O)(N)OP(=O)(N)NOOSC2=CC=CC=C2

DOS

IR

Vibrations