Geometry & MOs

Info

ID:	129377
PubChem CID:	51072435
Reduced:	ClSO2N3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	5.93
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(CCSC)NC(=O)N

DOS

IR

Vibrations