Geometry & MOs

Info

ID:	70100
PubChem CID:	47207627
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-144.05
Dipole, Da:	2.57
IP(EA), eV:	-8.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[(3-methoxyphenyl)methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CC(=O)NC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations