Geometry & MOs

Info

ID:	121347
PubChem CID:	50764410
Reduced:	ClSN4O5C23H25 (1)
Stoich.:	ABC4D5E23F25 (1)
Weight, g/mol:	545.02562
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	3.87
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[5-ethylsulfonyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations