Geometry & MOs

Info

ID:	158571
PubChem CID:	56464200
Reduced:	OSN3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	3.19
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-1,4-diazepan-1-yl)-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2=CC=CC=C2CN(C)C(C)C

DOS

IR

Vibrations