Geometry & MOs

Info

ID:	347357
PubChem CID:	127272206
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	5.59
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)(C)CNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations