Geometry & MOs

Info

ID:	350193
PubChem CID:	127277271
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	5.01
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2=NC(=CS2)CN3CCCCC3

DOS

IR

Vibrations