Geometry & MOs

Info

ID:	328834
PubChem CID:	126728332
Reduced:	FNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	605.269692
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	3.16
IP(EA), eV:	-9.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-dihydroxy-6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylcarbamoyl]-5-propan-2-yloxan-2-yl]oxy-4,5-dihydroxy-6-propan-2-yloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2=C(C=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations