Geometry & MOs

Info

ID:	38511
PubChem CID:	8136949
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	383.115107
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	1.91
IP(EA), eV:	-9.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)NC1CC1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations