Geometry & MOs

Info

ID:	407323
PubChem CID:	135079825
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	598.212237
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	7.99
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-3-[4,5-diacetyloxy-3-formamido-6-(formamidomethyl)oxan-2-yl]oxy-4-(formamidomethyl)-6-isocyanocyclohexyl] acetate

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=CC=C1)/C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

DOS

IR

Vibrations