Geometry & MOs

Info

ID:	196385
PubChem CID:	78817897
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	3.46
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-ylsulfonyl)anilino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations