Geometry & MOs

Info

ID:	360201
PubChem CID:	127300844
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	4.77
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations