Geometry & MOs

Info

ID:	435603
PubChem CID:	135191917
Reduced:	F2O3N5H19C20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	1.1
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-4-[(2,5-difluorophenyl)methylimino]-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]pent-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)F)NC(=O)C(CO2)NC(=O)C(=N)N=C(CC3=CC=CC=C3F)N

DOS

IR

Vibrations