Geometry & MOs

Info

ID:	218292
PubChem CID:	85089136
Reduced:	OSN7C23H27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	60.09
Dipole, Da:	8.37
IP(EA), eV:	-8.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methanesulfonamido)phenyl]-N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)N(C)C3=CC=CC=C3)NC4CCNN4

DOS

IR

Vibrations