Geometry & MOs

Info

ID:	179907
PubChem CID:	76553240
Reduced:	SF2O4N6C28H33 (1)
Stoich.:	AB2C4D6E28F33 (1)
Weight, g/mol:	470.206639
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	7.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761489
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-N-(1-carbamoylindol-3-yl)-2-N-(naphthalen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CC(CN(C1C2=C(C=CC(=C2)F)F)CC3=CC=CC=N3)N4CC5=CN(N=C5C4)S(=O)(=O)C)C(=O)[O-]

DOS

IR

Vibrations