Geometry & MOs

Info

ID:	229849
PubChem CID:	87569360
Reduced:	ClF2N3O5C24H28 (1)
Stoich.:	AB2C3D5E24F28 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-296.01
Dipole, Da:	4.78
IP(EA), eV:	-8.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]acetaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)OCC(F)F)N(C2=O)C4CCCNC4)OC.Cl

DOS

IR

Vibrations