Geometry & MOs

Info

ID:	153003
PubChem CID:	56312113
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	8.46
Dipole, Da:	6.53
IP(EA), eV:	-8.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N(CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C5CC5

DOS

IR

Vibrations