Geometry & MOs

Info

ID:	230012
PubChem CID:	87569871
Reduced:	ClO3N6C30H41 (1)
Stoich.:	AB3C6D30E41 (1)
Weight, g/mol:	314.100168
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	6.5
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-dihydroxypropoxy)-2-(4-formyl-2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N3C(CN(C3=O)[C@H](C)C(=O)NC)C4=CC=CC=C4)C)Cl

DOS

IR

Vibrations