Geometry & MOs

Info

ID:	331580
PubChem CID:	127248987
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=C(N(N=C3)C)C)O)COC4=CC=CC=C4

DOS

IR

Vibrations