Geometry & MOs

Info

ID:	67206
PubChem CID:	46506062
Reduced:	BrSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	444.07184
ΔH_f, kcal/mol:	-118.28
Dipole, Da:	2.42
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-butan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=CC(=N3)C)Br

DOS

IR

Vibrations