Geometry & MOs

Info

ID:	360195
PubChem CID:	127300838
Reduced:	OS2N7C15H23 (1)
Stoich.:	AB2C7D15E23 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	59.39
Dipole, Da:	8.13
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations