Geometry & MOs

Info

ID:	437145
PubChem CID:	135215189
Reduced:	N6O7C32H52 (2)
Stoich.:	A6B7C32D52 (2)
Weight, g/mol:	322.002839
ΔH_f, kcal/mol:	-677.18
Dipole, Da:	14.83
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-2-methyl-3-sulfooxyoxan-4-yl) hydrogen sulfate

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C(CCCCN)N

DOS

IR

Vibrations