Geometry & MOs

Info

ID:	139406
PubChem CID:	52523617
Reduced:	O2N7C19H30 (1)
Stoich.:	A2B7C19D30 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	8.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755597
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations