Geometry & MOs

Info

ID:	74065
PubChem CID:	48421414
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	3.83
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)N(C)CC(COCC2=CC=CC=C2)O)C

DOS

IR

Vibrations