Geometry & MOs

Info

ID:	360192
PubChem CID:	127300835
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	389.109251
ΔH_f, kcal/mol:	46.6
Dipole, Da:	5.11
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations