Geometry & MOs

Info

ID:	331583
PubChem CID:	127248990
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	2.95
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)CN3CCCC3=O)O)COC4=CC=CC=C4

DOS

IR

Vibrations