Geometry & MOs

Info

ID:	154982
PubChem CID:	56314542
Reduced:	O2S2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	0.29
Dipole, Da:	4.97
IP(EA), eV:	-8.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CC(=CC=C3)OCC4=CSC=N4

DOS

IR

Vibrations