Geometry & MOs

Info

ID:	350362
PubChem CID:	127277440
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	4.65
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations