Geometry & MOs

Info

ID:	238700
PubChem CID:	92765098
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	493.23589
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	1.83
IP(EA), eV:	-8.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)[C@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations