Geometry & MOs

Info

ID:	200383
PubChem CID:	79380607
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	2.88
IP(EA), eV:	-9.2(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[6-(ethylamino)pyridin-3-yl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)(CN(C)C(=O)C1=CC(=CN1)Br)O

DOS

IR

Vibrations