Geometry & MOs

Info

ID:	349238
PubChem CID:	127274964
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	388.114002
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	3.73
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations