Geometry & MOs

Info

ID:	363433
PubChem CID:	127311236
Reduced:	SN4O4C13H20 (1)
Stoich.:	AB4C4D13E20 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	6.22
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C(=O)NC2CS(=O)(=O)CC2N3CCOCC3

DOS

IR

Vibrations