Geometry & MOs

Info

ID:	226002
PubChem CID:	87246586
Reduced:	N4O5C9H22 (1)
Stoich.:	A4B5C9D22 (1)
Weight, g/mol:	587.218012
ΔH_f, kcal/mol:	-229.22
Dipole, Da:	9.19
IP(EA), eV:	-9.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(ethylcarbamoyl)-5-[5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridin-2-yl]-1H-pyrrol-3-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C(CO)O)O

DOS

IR

Vibrations