Geometry & MOs

Info

ID:	368150
PubChem CID:	127327701
Reduced:	O2S2N4C17H30 (1)
Stoich.:	A2B2C4D17E30 (1)
Weight, g/mol:	393.118084
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	5.99
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations