Geometry & MOs

Info

ID:	349240
PubChem CID:	127274966
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	385.16848
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	8.01
IP(EA), eV:	-9.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCC(=O)NC2)CC3=CSC=N3

DOS

IR

Vibrations