Geometry & MOs

Info

ID:	358853
PubChem CID:	127296724
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-124.31
Dipole, Da:	6.82
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-propoxyazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

DOS

IR

Vibrations