Geometry & MOs

Info

ID:	75439
PubChem CID:	48423473
Reduced:	SN2O4C12H24 (1)
Stoich.:	AB2C4D12E24 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	4.65
IP(EA), eV:	-9.53(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-(cyclopropylmethoxy)propanoylamino]methyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCCN(C)S(=O)(=O)C)OCC1CC1

DOS

IR

Vibrations