Geometry & MOs

Info

ID:	398226
PubChem CID:	135032358
Reduced:	O3S6C21H22 (2)
Stoich.:	A3B6C21D22 (2)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-236.33
Dipole, Da:	7.89
IP(EA), eV:	-7.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

Smile

CC1(SC2=C(C3=C(C(=C2S1)C(=O)O)SC(S3)(C)C)C(C4=C5C(=C(C6=C4SC(S6)(C)C)C(=O)OC)SC(S5)(C)C)C7=C8C(=C(C9=C7SC(S9)(C)C)C(=O)OC)SC(S8)(C)C)C

DOS

IR

Vibrations