Geometry & MOs

Info

ID:	305370
PubChem CID:	124772325
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	12.16
Dipole, Da:	12.01
IP(EA), eV:	-8.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(4-fluorophenyl)-2-oxo-6-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)C

DOS

IR

Vibrations