Geometry & MOs

Info

ID:	366536
PubChem CID:	127320052
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	2.33
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4)O

DOS

IR

Vibrations