Geometry & MOs

Info

ID:	313712
PubChem CID:	126617314
Reduced:	SO2N5H23C27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	461.072467
ΔH_f, kcal/mol:	79.69
Dipole, Da:	7.11
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[[(2S)-2-hydroxypropyl]amino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=CCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC=C(C=C4)CC5=CC=CC=C5

DOS

IR

Vibrations