Geometry & MOs

Info

ID:	315510
PubChem CID:	126627293
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	508.248584
ΔH_f, kcal/mol:	0.18
Dipole, Da:	2.01
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-[[4-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]benzoyl]amino]-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-2-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OC)C2CC2

DOS

IR

Vibrations