Geometry & MOs

Info

ID:	77399
PubChem CID:	48428586
Reduced:	OSN2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	5.01
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCN2CCSC2=O)C3=NC=CS3

DOS

IR

Vibrations