Geometry & MOs

Info

ID:	435602
PubChem CID:	135191916
Reduced:	N4O5C17H20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	415.145596
ΔH_f, kcal/mol:	-125.34
Dipole, Da:	4.0
IP(EA), eV:	-9.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-amino-2-(2-fluorophenyl)ethylidene]amino]-N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-2-iminoacetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC3=C(C=C2)OC[C@H](C(=O)N3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations