Geometry & MOs

Info

ID:	344396
PubChem CID:	127267572
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	348.136845
ΔH_f, kcal/mol:	-130.2
Dipole, Da:	6.68
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)C2=CC3=C(C=C2)N(C(=O)N3)C4CCCC4

DOS

IR

Vibrations