Geometry & MOs

Info

ID:	349235
PubChem CID:	127274961
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	375.093601
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	4.6
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations