Geometry & MOs

Info

ID:	331496
PubChem CID:	127248903
Reduced:	SN2O3C25H36 (1)
Stoich.:	AB2C3D25E36 (1)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	1.46
IP(EA), eV:	-8.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3CCCCC3)O)CCOC4=CC=C(C=C4)OC

DOS

IR

Vibrations