Geometry & MOs

Info

ID:	67625
PubChem CID:	46506842
Reduced:	ClS2O3N4H23C27 (1)
Stoich.:	AB2C3D4E23F27 (1)
Weight, g/mol:	571.063856
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	5.97
IP(EA), eV:	-9.09(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC(=O)NC5=C(C=CC(=C5)Cl)C

DOS

IR

Vibrations