Geometry & MOs

Info

ID:	121339
PubChem CID:	50764234
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	535.102491
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	4.52
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)OCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations