Geometry & MOs

Info

ID:	120975
PubChem CID:	50752118
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	4.11
IP(EA), eV:	-8.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methoxyphenyl]-2-ethyl-5,6,7,8-tetrahydrophthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=NN2)C3=CC=CC=C3NC(=O)C(C)C)C

DOS

IR

Vibrations