Geometry & MOs

Info

ID:	435607
PubChem CID:	135191937
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	417.136781
ΔH_f, kcal/mol:	-103.45
Dipole, Da:	3.98
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-7-chloro-9-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]methylidene]-5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

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CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)N3CCC(C3)COC4=CC=CC=C4

DOS

IR

Vibrations