Geometry & MOs

Info

ID:	182050
PubChem CID:	76833560
Reduced:	SF2O3N5C21H25 (1)
Stoich.:	AB2C3D5E21F25 (1)
Weight, g/mol:	453.263899
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	5.19
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,2-dimethyl-3-pyrimidin-5-ylpropanoyl)amino]-11-fluoro-5-hydroxy-5-(hydroxymethyl)-2-methylundec-3-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NCC(C)(F)F)NC2CC(C(C2O)O)CO)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations