Geometry & MOs

Info

ID:	368925
PubChem CID:	127330933
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	3.42
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations