Geometry & MOs

Info

ID:	61179
PubChem CID:	26706788
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	7.42
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-1-methylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC=C)C)[N+](=O)[O-]

DOS

IR

Vibrations