Geometry & MOs

Info

ID:	277477
PubChem CID:	103828852
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-37.57
Dipole, Da:	3.72
IP(EA), eV:	-9.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,4-diazepan-1-ylsulfonyl)-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CC[C@H](C3)N)C=CC=N2

DOS

IR

Vibrations