Geometry & MOs

Info

ID:	320192
PubChem CID:	126658627
Reduced:	NO6C26H43 (1)
Stoich.:	AB6C26D43 (1)
Weight, g/mol:	439.304621
ΔH_f, kcal/mol:	-246.73
Dipole, Da:	7.6
IP(EA), eV:	-9.41(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-4-(2,6-dimethylhept-5-en-2-yl)-5-methoxy-1-oxaspiro[2.5]octan-6-yl] N-[3-[(2-aminoacetyl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OCC1(CCCC1)NC(=O)OC2CC[C@]3(CO3)C(C2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations