Geometry & MOs

Info

ID:	311335
PubChem CID:	126590526
Reduced:	F3N5C30H32 (1)
Stoich.:	A3B5C30D32 (1)
Weight, g/mol:	395.205636
ΔH_f, kcal/mol:	-27.61
Dipole, Da:	1.82
IP(EA), eV:	-8.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-hydroxy-4-[[(3S)-2-hydroxy-7-(pent-4-ynoylamino)hept-1-en-3-yl]carbamoylamino]hex-5-enoic acid

Drug info:

PubChemData

Smile

C/C=C\N(C=C)C1=CC=CC=C1C(CC2=CC(=NC(=N2)N)C3=CC=C(C=C3)CC(C(=C=C)C)N)C(F)(F)F

DOS

IR

Vibrations