Geometry & MOs

Info

ID:	49784
PubChem CID:	11533823
Reduced:	BrNS2O3H22C25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	528.22966
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	8.99
IP(EA), eV:	-8.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,6R)-3-(2,3-difluorophenyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC(=C)C)C

DOS

IR

Vibrations