Geometry & MOs

Info

ID:	431758
PubChem CID:	135171862
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	380.247521
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	0.9
IP(EA), eV:	-8.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[5-amino-2-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCNCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)OC)N

DOS

IR

Vibrations