Geometry & MOs

Info

ID:	195644
PubChem CID:	78714857
Reduced:	O4N5C15H20 (1)
Stoich.:	A4B5C15D20 (1)
Weight, g/mol:	407.133734
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	15.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769515
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)N2C(=CC(=N2)C)NC(=O)C=CC(=O)[O-]

DOS

IR

Vibrations