Geometry & MOs

Info

ID:	364050
PubChem CID:	127313721
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	365.115775
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	5.57
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations