Geometry & MOs

Info

ID:	305994
PubChem CID:	124999958
Reduced:	ClFO2N7C25H29 (1)
Stoich.:	ABC2D7E25F29 (1)
Weight, g/mol:	305.112404
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	6.46
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)CC3CCN(CC3)C(=O)C4=C(C(=CC=C4)Cl)F)N5CC[C@@H](C5)O

DOS

IR

Vibrations