Geometry & MOs

Info

ID:	77406
PubChem CID:	48428595
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	355.031289
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	4.72
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCC(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations