Geometry & MOs

Info

ID:	244416
PubChem CID:	99350763
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	451.133255
ΔH_f, kcal/mol:	1.46
Dipole, Da:	6.09
IP(EA), eV:	-8.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-methylsulfonylanilino)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC)Cl)C4=CC=CC=C4

DOS

IR

Vibrations