Geometry & MOs

Info

ID:	268797
PubChem CID:	103600983
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-165.68
Dipole, Da:	6.14
IP(EA), eV:	-9.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CCC(C)NS(=O)(=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations