Geometry & MOs

Info

ID:	309364
PubChem CID:	126545676
Reduced:	ClON4C14H15 (2)
Stoich.:	ABC4D14E15 (2)
Weight, g/mol:	431.222035
ΔH_f, kcal/mol:	32.13
Dipole, Da:	4.83
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-fluoro-5-[2-oxo-5-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]phenyl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C2=CC(=CC=C2)N[C@@H](C(=O)NCC1)CCN)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations