Geometry & MOs

Info

ID:	349233
PubChem CID:	127274959
Reduced:	OS2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	10.06
Dipole, Da:	1.07
IP(EA), eV:	-8.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations