Geometry & MOs

Info

ID:	205920
PubChem CID:	80177369
Reduced:	N3C13H27 (1)
Stoich.:	A3B13C27 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-29.91
Dipole, Da:	1.07
IP(EA), eV:	-8.61(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,4-thiazepan-4-ylsulfonyl)naphthalen-2-amine

Drug info:

PubChemData

Smile

CC1(CCN(C1)CCN2CCC(CC2)N)C

DOS

IR

Vibrations