Geometry & MOs

Info

ID:	336215
PubChem CID:	127255222
Reduced:	FNO5H26C35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	6.43
IP(EA), eV:	-8.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)F

DOS

IR

Vibrations