Geometry & MOs

Info

ID:	434001
PubChem CID:	135174151
Reduced:	PO3N6C28H31 (1)
Stoich.:	AB3C6D28E31 (1)
Weight, g/mol:	471.255563
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	3.68
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCCNP(COCCN2C=NC3=C(N=CN=C32)N)OC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations