Geometry & MOs

Info

ID:	41165
PubChem CID:	8145388
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	87.21
Dipole, Da:	5.33
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=NN=N2)S[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3)C

DOS

IR

Vibrations