Geometry & MOs

Info

ID:	235796
PubChem CID:	92710656
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	406.205656
ΔH_f, kcal/mol:	-168.05
Dipole, Da:	4.02
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-[[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations