Geometry & MOs

Info

ID:	440360
PubChem CID:	135230319
Reduced:	ClSO4N8C25H27 (1)
Stoich.:	ABC4D8E25F27 (1)
Weight, g/mol:	453.212452
ΔH_f, kcal/mol:	12.2
Dipole, Da:	4.8
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CN=C(S5)Cl)CCOC

DOS

IR

Vibrations