Geometry & MOs

Info

ID:	56620
PubChem CID:	17487224
Reduced:	O2N3S3H13C16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	5.1
IP(EA), eV:	-8.61(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-N-[4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC(=CC=C2)NC(=O)C3=CN=C4N(C3=O)C=CS4

DOS

IR

Vibrations