Geometry & MOs

Info

ID:	171414
PubChem CID:	75375228
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	3.14
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1C2=CC=CC=C2CCN1CC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CS5

DOS

IR

Vibrations