Geometry & MOs

Info

ID:	308363
PubChem CID:	125326494
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	535.02351
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	2.91
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[[(5R)-5-(4-butylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N(C)[C@@H](C2=C3C=CC=CC3=NC2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations