Geometry & MOs

Info

ID:	335937
PubChem CID:	127254944
Reduced:	FNO5H26C35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-91.79
Dipole, Da:	7.09
IP(EA), eV:	-8.45(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC(=CC=C7)OC

DOS

IR

Vibrations