Geometry & MOs

Info

ID:	331577
PubChem CID:	127248984
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	4.69
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[4-methyl-5-(phenoxymethyl)-1,3-thiazol-2-yl]azepan-1-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCCC(CC2)(C3=NC(=C(S3)COC4=CC=CC=C4)C)O

DOS

IR

Vibrations