Geometry & MOs

Info

ID:	233385
PubChem CID:	89854831
Reduced:	F2O4N10C25H32 (1)
Stoich.:	A2B4C10D25E32 (1)
Weight, g/mol:	298.137616
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	8.55
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoacetic acid;2-aminopropanoic acid;1,3-dihydroxypropan-2-yl acetate

Drug info:

PubChemData

Smile

CC1(C[C@@H](C[C@@H]2N1CCC2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4F)OCCNC(=O)O)N5C(=O)N(N=N5)C)C

DOS

IR

Vibrations