Geometry & MOs

Info

ID:	148020
PubChem CID:	53787682
Reduced:	SF2O4N6C26H38 (1)
Stoich.:	AB2C4D6E26F38 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-247.99
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-2-hydroxy-1H-benzotriazol-5-yl)propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCCCCCN3CCN(CC3)CCO)F

DOS

IR

Vibrations