Geometry & MOs

Info

ID:	390614
PubChem CID:	134999993
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	372.251189
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	4.75
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1R)-1-[(6S)-6-methyloxan-2-yl]oxyheptyl]propanedioate

Drug info:

PubChemData

Smile

CC(=O)CC(CCOCC1=CC=CC=C1)N2C=NC3=C(N=CN=C32)NC(=O)OC(C)(C)C

DOS

IR

Vibrations