Geometry & MOs

Info

ID:	77391
PubChem CID:	48428179
Reduced:	OS3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	12.17
Dipole, Da:	4.61
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSCCC(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations