Geometry & MOs

Info

ID:	170323
PubChem CID:	75216925
Reduced:	F3O10N11C41H66 (1)
Stoich.:	A3B10C11D41E66 (1)
Weight, g/mol:	371.158017
ΔH_f, kcal/mol:	-615.23
Dipole, Da:	8.78
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;3,5,5-trimethyl-2-phenylmorpholin-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CCCCNC(=NC)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations