Geometry & MOs

Info

ID:	133834
PubChem CID:	51597381
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	11.0
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(=O)N2CCCC[C@H]2C3=NC(=O)C=C(N3)C4=CSC=C4)OC

DOS

IR

Vibrations