Geometry & MOs

Info

ID:	349245
PubChem CID:	127274971
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	380.145302
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	2.39
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations