Geometry & MOs

Info

ID:	368152
PubChem CID:	127327703
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	360.128983
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	7.83
IP(EA), eV:	-8.77(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]morpholine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations