Geometry & MOs

Info

ID:	315504
PubChem CID:	126627285
Reduced:	BrNC10H18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	498.264234
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	3.52
IP(EA), eV:	-9.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[[(Z)-4-[(Z)-3-fluoroprop-1-enyl]-2-methylhept-4-en-2-yl]amino]-2-methyl-5-oxo-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](/C=N\C(=C)Br)C(C)CC

DOS

IR

Vibrations