Geometry & MOs

Info

ID:	350544
PubChem CID:	127278512
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-70.1
Dipole, Da:	3.79
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(azepan-1-ylsulfonyl)phenyl]-(2-cyclobutylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations