Geometry & MOs

Info

ID:	305801
PubChem CID:	124969955
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	7.45
IP(EA), eV:	-8.09(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1S(=O)(=O)N2CCC[C@H](C2)C3=CC(=NC=C3)NC)C

DOS

IR

Vibrations