Geometry & MOs

Info

ID:	357191
PubChem CID:	127293695
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	4.67
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C4C3)NC(=O)C1

DOS

IR

Vibrations