Geometry & MOs

Info

ID:	328179
PubChem CID:	126693123
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	570.23557
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	2.01
IP(EA), eV:	-8.7(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutyl (2S)-2-[[[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyanooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

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CC[C@H]([C@H](C)CN(C)C)/C(=C/[C@@H](C)O)/C=C\C

DOS

IR

Vibrations