Geometry & MOs

Info

ID:	378937
PubChem CID:	134228454
Reduced:	FO2N8C15H15 (1)
Stoich.:	AB2C8D15E15 (1)
Weight, g/mol:	479.184107
ΔH_f, kcal/mol:	28.04
Dipole, Da:	1.66
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[(4-amino-5-fluoropyrimidin-2-yl)amino]-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)N)F)N3C(=O)N(N=N3)C4COC4

DOS

IR

Vibrations