Geometry & MOs

Info

ID:	44616
PubChem CID:	10504424
Reduced:	NO6C18H27 (1)
Stoich.:	AB6C18D27 (1)
Weight, g/mol:	467.215532
ΔH_f, kcal/mol:	-270.07
Dipole, Da:	3.99
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(S)-hydroxy-[(2S,4R)-4-(2-methoxy-2-oxoethyl)-4-methyl-5-oxooxolan-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC(=O)OCCOCCN)C(C)(C)CC(=O)O)C

DOS

IR

Vibrations