Geometry & MOs

Info

ID:	298523
PubChem CID:	117650584
Reduced:	N5O20C43H77 (1)
Stoich.:	A5B20C43D77 (1)
Weight, g/mol:	287.282429
ΔH_f, kcal/mol:	-1034.63
Dipole, Da:	4.63
IP(EA), eV:	-9.99(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-1-aminoheptadecane-2,4-diol

Drug info:

Smile

CC(C)(C)OC(=O)NCC1[C@H](C([C@@H]([C@H](O1)OC2[C@@H](C([C@@H](CC2NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O[C@H]3[C@H](C([C@@H](C(O3)CO)O)NC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations