Geometry & MOs

Info

ID:	435637
PubChem CID:	135192019
Reduced:	FON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	3.82
IP(EA), eV:	-9.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-benzyl-2-imino-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]hept-3-enamide

Drug info:

PubChemData

Smile

CN=C(CC1=CC(=CC=C1)F)NC(=C)C(=O)N

DOS

IR

Vibrations