Geometry & MOs

Info

ID:	418748
PubChem CID:	135106684
Reduced:	OS2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	36.6
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-4-oxobutyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SCC(=O)NCCCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations