Geometry & MOs

Info

ID:	363284
PubChem CID:	127310445
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	8.84
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[4-(oxolan-2-ylmethoxy)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC

DOS

IR

Vibrations