Geometry & MOs

Info

ID:	64288
PubChem CID:	29198907
Reduced:	S2N3O5C21H27 (1)
Stoich.:	A2B3C5D21E27 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-153.29
Dipole, Da:	8.21
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations