Geometry & MOs

Info

ID:	331536
PubChem CID:	127248943
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	2.57
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCC(CC2)(C3=NC(=C(S3)CCOC4=CC=CC=C4)C)O)C

DOS

IR

Vibrations