Geometry & MOs

Info

ID:	284608
PubChem CID:	104055394
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	6.45
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(azepan-1-ylsulfonyl)-3-chlorophenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=C(C=C2)CN)Cl

DOS

IR

Vibrations