Geometry & MOs

Info

ID:	243034
PubChem CID:	99215227
Reduced:	FO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	475.194106
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	7.1
IP(EA), eV:	-8.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC[C@H]1CCN(C1)C2=CC=C(C=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations